BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 51034291 N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 KBZOIRJILGZLEJ-LGYYRGKSSA-N 35667 AVP::CHEMBL373742::US10131692, 44 (AVP)::[3H]Arginine vasopressin::[3H]Argipressin tannate::[3H]vasopressin Oxytocin receptor Rattus 1.2 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35667&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 644077 85856460 CHEMBL373742 2168 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51034058 CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 VWXRQYYUEIYXCZ-OBIMUBPZSA-N 50177595 (2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide::Atosiban::CHEMBL382301::ChEMBL_332615 Oxytocin receptor Rattus 12 ChEMBL 10.1016/j.bmcl.2005.10.107 10.7270/Q27945GR 16297621 Failli, AA; Shumsky, JS; Steffan, RJ; Caggiano, TJ; Williams, DK; Trybulski, EJ; Ning, X; Lock, Y; Tanikella, T; Hartmann, D; Chan, PS; Park, CH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177595&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311010 104063058 CHEMBL382301 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156402 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1 IFHSSGUGRIXWQU-HGWQXCOYSA-N 81895 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-didehydro-L-Pyz-N-methyl-L-Phe-]::J325.338D::L-365,209 Oxytocin receptor Rattus 7.3 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81895&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898393 131342469 ZINC96130944 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156403 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1 IFHSSGUGRIXWQU-HGWQXCOYSA-N 81895 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-didehydro-L-Pyz-N-methyl-L-Phe-]::J325.338D::L-365,209 Oxytocin receptor Rattus 12 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81895&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898393 131342469 ZINC96130944 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156406 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CC(CN(C)C)CNN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1 IUFVFMBGWPJZJQ-PBIKBHKTSA-N 81889 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(dimethylamino)methyl]-L-Pyz-N-methyl-D-Phe-]::J440.775J::L-366,670 Oxytocin receptor Rattus 4.3 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81889&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898391 131342463 ZINC96130869 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156407 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CC(CN(C)C)CNN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1 IUFVFMBGWPJZJQ-PBIKBHKTSA-N 81889 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(dimethylamino)methyl]-L-Pyz-N-methyl-D-Phe-]::J440.775J::L-366,670 Oxytocin receptor Rattus 6.2 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81889&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898391 131342463 ZINC96130869 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156410 CC(C=C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1cnc[nH]1)C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1 InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51) QHUGACUEEILSLD-UHFFFAOYSA-N 81890 CAS_196819::L-366,682::NSC_196819 Oxytocin receptor Rattus 6 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81890&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 53463811 131342464 ZINC96130888 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156411 CC(C=C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1cnc[nH]1)C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1 InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51) QHUGACUEEILSLD-UHFFFAOYSA-N 81890 CAS_196819::L-366,682::NSC_196819 Oxytocin receptor Rattus 10 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81890&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 53463811 131342464 ZINC96130888 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156414 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C35H44N6O5/c1-4-23(2)30-35(46)41-28(17-11-19-36-41)33(44)39(3)29(22-25-15-9-6-10-16-25)34(45)40-20-12-18-27(40)32(43)37-26(31(42)38-30)21-24-13-7-5-8-14-24/h5-10,13-16,19,23,26-30H,4,11-12,17-18,20-22H2,1-3H3,(H,37,43)(H,38,42)/t23?,26-,27+,28+,29?,30?/m0/s1 OTWWUHFSTJTPLY-BGXORGPJSA-N 81892 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-N-methyl-D-Phe-]::J440.774A::L-366,706 Oxytocin receptor Rattus 6 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81892&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898392 131342466 ZINC89454902 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156415 CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C35H44N6O5/c1-4-23(2)30-35(46)41-28(17-11-19-36-41)33(44)39(3)29(22-25-15-9-6-10-16-25)34(45)40-20-12-18-27(40)32(43)37-26(31(42)38-30)21-24-13-7-5-8-14-24/h5-10,13-16,19,23,26-30H,4,11-12,17-18,20-22H2,1-3H3,(H,37,43)(H,38,42)/t23?,26-,27+,28+,29?,30?/m0/s1 OTWWUHFSTJTPLY-BGXORGPJSA-N 81892 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-N-methyl-D-Phe-]::J440.774A::L-366,706 Oxytocin receptor Rattus 13 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81892&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91898392 131342466 ZINC89454902 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156418 CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 PQTORSHXODXZHK-UHFFFAOYSA-N 81893 CAS_3083084::L-366,811::NSC_3083084 Oxytocin receptor Rattus 3.4 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81893&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 54592344 131342467 ZINC96130936 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156419 CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC InChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3 PQTORSHXODXZHK-UHFFFAOYSA-N 81893 CAS_3083084::L-366,811::NSC_3083084 Oxytocin receptor Rattus 4.2 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81893&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 54592344 131342467 ZINC96130936 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156422 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1 KHZMWMBLYZHOQJ-KXQLWDMUSA-N 81894 Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-D-His-]::J325.349J::L-366,875 Oxytocin receptor Rattus 1.3 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81894&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372918 131342468 ZINC95536515 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156423 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1 KHZMWMBLYZHOQJ-KXQLWDMUSA-N 81894 Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-D-His-]::J325.349J::L-366,875 Oxytocin receptor Rattus 2.5 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81894&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372918 131342468 ZINC95536515 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156426 CCC(C)C(NC(=O)C(N)Cc1ccc2ccccc2c1)C(=O)C1(CCCN1C(=O)C(N)CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C=O InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53) OCVKQRQVXSMCCJ-UHFFFAOYSA-N 81891 CAS_188397::L-366,948::NSC_188397 Oxytocin receptor Rattus 0.7 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81891&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 53463360 131342465 ZINC96130915 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 156427 CCC(C)C(NC(=O)C(N)Cc1ccc2ccccc2c1)C(=O)C1(CCCN1C(=O)C(N)CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C=O InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53) OCVKQRQVXSMCCJ-UHFFFAOYSA-N 81891 CAS_188397::L-366,948::NSC_188397 Oxytocin receptor Rattus 0.8 PDSP Ki 10.7270/Q2028Q1G 1988661 Pettibone, DJ; Clineschmidt, BV; Lis, EV; Reiss, DR; Totaro, JA; Woyden, CJ; Bock, MG; Freidinger, RM; Tung, RD; Veber, DF Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81891&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 53463360 131342465 ZINC96130915 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 174351 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30) KSNUCNRMDYJBKT-UHFFFAOYSA-N 50029644 CHEMBL296908::N-(3-(4-(4-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)piperidine-1-carbonyl)phenoxy)propyl)acetamide::N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide::OPC-1268::OPC-21268 Oxytocin receptor Rattus 333 PDSP Ki 10.7270/Q25T3J1N 9223568 Tahara, A; Tomura, Y; Wada, KI; Kusayama, T; Tsukada, J; Takanashi, M; Yatsu, T; Uchida, W; Tanaka, A Yamanouchi Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029644&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 114904 103938694 CHEMBL296908 2196 ZINC03796262 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 174352 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31) WRNXUQJJCIZICJ-UHFFFAOYSA-N 35714 CHEMBL420762::Mozavaptan::N-[4-(5-Dimethylamino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-2-methyl-benzamide::OPC-31260 Oxytocin receptor Rattus 1550 PDSP Ki 10.7270/Q25T3J1N 9223568 Tahara, A; Tomura, Y; Wada, KI; Kusayama, T; Tsukada, J; Takanashi, M; Yatsu, T; Uchida, W; Tanaka, A Yamanouchi Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35714&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 119369 85856507 CHEMBL420762 2197 ZINC06071859 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 174353 CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22?,25-,26+,27+,28+,29+,30?,31?,35+/m1/s1 XNOPRXBHLZRZKH-NKZLJGITSA-N 50013775 (oxytocin-OT) cyclo[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-NH2::1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide::1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amide(Oxytocin)::1-[19-Amino-13-sec-butyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-3-methyl-butyl]-amidec-[Cys-Tyr-Ile-Gln-Asn-Cys]-Pro-Leu-Gly-NH2::CHEMBL265640::Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly-NH2::OXYTOCIN Oxytocin receptor Rattus 0.89 PDSP Ki 10.7270/Q25T3J1N 9223568 Tahara, A; Tomura, Y; Wada, KI; Kusayama, T; Tsukada, J; Takanashi, M; Yatsu, T; Uchida, W; Tanaka, A Yamanouchi Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013775&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44314302 103925809 CHEMBL265640 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 174354 Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37) IKENVDNFQMCRTR-UHFFFAOYSA-N 85095 CAS_151171::CONIVAPTAN::NSC_151171::YM087 Oxytocin receptor Rattus 44.4 PDSP Ki 10.7270/Q25T3J1N 9223568 Tahara, A; Tomura, Y; Wada, KI; Kusayama, T; Tsukada, J; Takanashi, M; Yatsu, T; Uchida, W; Tanaka, A Yamanouchi Pharmaceutical Co., Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85095&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 151171 136351195 DB00872 ZINC12503187 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 186297 CO\N=C1\C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23-/t25-,26+/m0/s1 IBXGJPAYWMFXSF-UEEONYLUSA-N 50326713 (2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(methoxyimino)-1-[(2'-methyl[1,1'-biphenyl]-4-yl)carbonyl]-2-pyrrolidinecarboxamide::(S)-N-((S)-2-hydroxy-2-phenylethyl)-4-(methoxyimino)-1-(2'-methylbiphenylcarbonyl)pyrrolidine-2-carboxamide::CHEMBL1254024 Oxytocin receptor Rattus 135 PDSP Ki 10.1124/jpet.103.049395 10.7270/Q2MC8XKT 12660315 Cirillo, R; Gillio Tos, E; Schwarz, MK; Quattropani, A; Scheer, A; Missotten, M; Dorbais, J; Nichols, A; Borrelli, F; Giachetti, C; Golzio, L; Marinelli, P; Thomas, RJ; Chevillard, C; Laurent, F; Portet, K; Barberis, C; Chollet, A LCG Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326713&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9690136 123105828 CHEMBL1254024 2192 ZINC04847333 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 186300 CCOc1ccc(CC2NC(=O)CCSSCC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)O)C(=O)N2CCCC2C(=O)NC(CCCN)C(=O)NCC(N)=O)cc1 InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63) VWXRQYYUEIYXCZ-UHFFFAOYSA-N 86209 Atosiban::CAS_90779-69-4::NSC_0 Oxytocin receptor Rattus 76 PDSP Ki 10.1124/jpet.103.049395 10.7270/Q2MC8XKT 12660315 Cirillo, R; Gillio Tos, E; Schwarz, MK; Quattropani, A; Scheer, A; Missotten, M; Dorbais, J; Nichols, A; Borrelli, F; Giachetti, C; Golzio, L; Marinelli, P; Thomas, RJ; Chevillard, C; Laurent, F; Portet, K; Barberis, C; Chollet, A LCG Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86209&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 21183636 136352309 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 186303 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64) XNOPRXBHLZRZKH-UHFFFAOYSA-N 86210 CAS_50-56-6::NSC_439302::Oxytocin Oxytocin receptor Rattus 1.9 PDSP Ki 10.1124/jpet.103.049395 10.7270/Q2MC8XKT 12660315 Cirillo, R; Gillio Tos, E; Schwarz, MK; Quattropani, A; Scheer, A; Missotten, M; Dorbais, J; Nichols, A; Borrelli, F; Giachetti, C; Golzio, L; Marinelli, P; Thomas, RJ; Chevillard, C; Laurent, F; Portet, K; Barberis, C; Chollet, A LCG Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86210&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5771 136352310 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 186442 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1 InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) ROGUAPYLUCHQGK-UHFFFAOYSA-N 50133817 4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide::BCTC::CHEMBL441472::N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide Oxytocin receptor Rattus >10000 PDSP Ki 10.1124/jpet.102.045674 10.7270/Q2TX3CX5 12721338 Valenzano, KJ; Grant, ER; Wu, G; Hachicha, M; Schmid, L; Tafesse, L; Sun, Q; Rotshteyn, Y; Francis, J; Limberis, J; Malik, S; Whittemore, ER; Hodges, D Pudue Pharma Discovery Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133817&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9929425 104024571 CHEMBL441472 2460 ZINC27109670 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 182848 COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 NJXZWIIMWNEOGJ-WEWKHQNJSA-N 50299343 (2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxoindolin-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide::(2S,4R)-1-[5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,Ndimethyl-2-pyrrolidine carboxamide::CHEMBL582857::SR-149415::SSR149415 Oxytocin receptor Rattus 270 PDSP Ki 10.1124/jpet.300.3.1122 10.7270/Q20V8BBW 11861823 Serradeil-Le Gal, C; Wagnon, J; Simiand, J; Griebel, G; Lacour, C; Guillon, G; Barberis, C; Brossard, G; Soubrie, P; Nisato, D; Pascal, M; Pruss, R; Scatton, B; Maffrand, JP; Le Fur, G Sanofi-Synthelabo Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50299343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50299343&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9895468 104140872 CHEMBL582857 2202 ZINC42833251 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002045 CS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C14H17NO2S/c1-18(16,17)15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14/h2-7H,8-11H2,1H3 SJFJQACKCDPJDX-UHFFFAOYSA-N 50001338 1'-methylsulfonylspiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL126773 Oxytocin receptor Rattus >100000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001338&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10244510 103915803 CHEMBL126773 ZINC13728218 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002048 [O-][N+](=O)c1ccc(NC(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1 InChI=1S/C20H19N3O3/c24-19(21-16-5-7-17(8-6-16)23(25)26)22-13-11-20(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-10H,11-14H2,(H,21,24) XEBYQWAXGQRPJO-UHFFFAOYSA-N 50001336 1'N-(4-nitrophenyl)spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL126381 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001336&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10383172 103915801 CHEMBL126381 C02125 ZINC13728390 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002050 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=CC1CCCCC31)[C@H](O)C2 InChI=1S/C23H37NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h7,9,17-20,25H,3-6,8,10-16H2,1-2H3/t17?,18?,19?,20-,23-/m1/s1 YOOZACONZOWRFD-FUEMEWLOSA-N 50001342 7,7-dimethyl-1-spiro[bicyclo[4.3.0]non-8-ene-7,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl alcohol::CHEMBL407977 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001342&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350933 103915807 CHEMBL407977 ZINC27305840 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002052 CCOC(=O)C1(CCN(CC1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 InChI=1S/C22H27NO4S/c1-4-27-21(24)22(19-8-6-5-7-9-19)14-15-23(16-18(22)3)28(25,26)20-12-10-17(2)11-13-20/h5-13,18H,4,14-16H2,1-3H3 QDFJWQQNNXWJLH-UHFFFAOYSA-N 50001341 CHEMBL434825::ethyl 3-methyl-1-(4-methylphenylsulfonyl)-4-phenylhexahydro-4-pyridinecarboxylate Oxytocin receptor Rattus 5400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001341&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10046625 103915806 CHEMBL434825 ZINC13728353 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002060 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2 InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)/t19?,24-,25-/m0/s1 XKVDTEPESVJNPJ-MTSQGGNFSA-N 50001352 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]acetic acid::CHEMBL339681 Oxytocin receptor Rattus 780.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001352&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351204 103915817 CHEMBL339681 ZINC03782522 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002062 CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1O InChI=1S/C23H33NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18,20,25H,7-16H2,1-2H3/t18?,20?,23-/m1/s1 NSFREQWHOHFNIR-KXNZUKPASA-N 50001349 3,3,-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL126371 Oxytocin receptor Rattus 3000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001349&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351225 103915814 CHEMBL126371 ZINC27306963 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002065 COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c2c1 InChI=1S/C24H31NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18H,7,9-14,16H2,1-3H3/t18?,24-/m1/s1 BIFUGZDWTCNKGI-VCUSLETLSA-N 50001351 1-[5,6-dimethoxyspiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL340531 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001351&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351230 103915816 CHEMBL340531 ZINC27308795 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002067 Cc1ccc(cc1)S(=O)(=O)N1CCC2(CCc3ccccc23)CC1 InChI=1S/C20H23NO2S/c1-16-6-8-18(9-7-16)24(22,23)21-14-12-20(13-15-21)11-10-17-4-2-3-5-19(17)20/h2-9H,10-15H2,1H3 LOBYPNWGIZCTTC-UHFFFAOYSA-N 50001357 1'-(4-methylphenylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL127117 Oxytocin receptor Rattus 5700 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001357&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9974603 103915822 CHEMBL127117 ZINC13728185 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002070 Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)c1ccccc1-c1ccccc21 InChI=1S/C24H23NO2S/c1-18-10-12-19(13-11-18)28(26,27)25-16-14-24(15-17-25)22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13H,14-17H2,1H3 JTSRWYHQRGEWOG-UHFFFAOYSA-N 50001367 1'-(4-methylphenylsulfonyl)spiro[9H-fluorene-9,4'-(hexahydropyridine)]::CHEMBL339472 Oxytocin receptor Rattus >100000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001367&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351058 103915832 CHEMBL339472 ZINC13728272 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002072 C[C@@H]1[C@@H](O)[C@]2(CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)CCC1C2(C)C InChI=1S/C24H33NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19,21,26H,9,11-16H2,1-3H3/t17-,19?,21+,24+/m0/s1 WDCPKDGQHJWMLP-UMAUPIHHSA-N 50001365 3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL340237 Oxytocin receptor Rattus 980.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001365&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350979 103915830 CHEMBL340237 ZINC27308300 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002074 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(=O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1 XEGCBPWQNYJXLN-WBPHRXDCSA-N 50001363 (1R-enantiomer)7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL129268 Oxytocin receptor Rattus 1100 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001363&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351066 103915828 CHEMBL129268 ZINC27308735 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002078 CC(C)C(=O)NC1C2CC[C@@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C1=O)C2(C)C InChI=1S/C27H38N2O4S/c1-18(2)24(31)28-22-21-10-12-27(23(22)30,25(21,3)4)17-34(32,33)29-15-13-26(14-16-29)11-9-19-7-5-6-8-20(19)26/h5-8,18,21-22H,9-17H2,1-4H3,(H,28,31)/t21?,22?,27-/m1/s1 PRVFBJZTGOTDAN-HAPLJMJGSA-N 50001358 1N-[7,7-dimethyl-3-oxo-4-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]-2-methylpropanamide::CHEMBL340589 Oxytocin receptor Rattus 3000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001358&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351265 103915823 CHEMBL340589 ZINC27309293 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002079 O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C24H30N2O/c27-22(25-24-14-17-11-18(15-24)13-19(12-17)16-24)26-9-7-23(8-10-26)6-5-20-3-1-2-4-21(20)23/h1-6,17-19H,7-16H2,(H,25,27) HHQHMEZJZPOYBH-UHFFFAOYSA-N 50001360 1'N-(1-adamantyl)spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL129001 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001360&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351158 103915825 CHEMBL129001 ZINC13728393 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002082 CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1 WZQWIOILPGGQPR-WBPHRXDCSA-N 50001371 3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one::CHEMBL126029 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001371&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351211 103915836 CHEMBL126029 ZINC27305263 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002084 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1c3cccc1Cl)C(=O)C2 InChI=1S/C23H28ClNO3S/c1-21(2)16-6-9-23(21,20(26)14-16)15-29(27,28)25-12-10-22(11-13-25)8-7-17-18(22)4-3-5-19(17)24/h3-5,7-8,16H,6,9-15H2,1-2H3/t16?,23-/m1/s1 XYMZUAVUJDKWRB-IJBYHRAESA-N 50001369 1-[4,7-dichlorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126785 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001369&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351107 103915834 CHEMBL126785 ZINC27308270 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002088 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23-/m1/s1 WHOYCZAZHQFDDJ-JSNZXPNTSA-N 50001372 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL338318 Oxytocin receptor Rattus 470 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001372&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351034 103915837 CHEMBL338318 ZINC03800019 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002089 Brc1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18BrNO2S/c20-16-5-3-6-17(14-16)24(22,23)21-12-10-19(11-13-21)9-8-15-4-1-2-7-18(15)19/h1-9,14H,10-13H2 SNUQMXKAXHLIOE-UHFFFAOYSA-N 50001373 1'-(3-bromophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL129031 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001373&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10069769 103915838 CHEMBL129031 ZINC13728199 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002096 COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(C[C@H]3O)C4(C)C)c2c1 InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18,21,26H,7,9-14,16H2,1-3H3/t18?,21-,24-/m1/s1 RWSAAPRZBRTHQG-QMFJJHEJSA-N 50001374 1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL126951 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001374&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351234 103915839 CHEMBL126951 ZINC27308057 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002098 COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(C[C@@H]2O)C3(C)C)c1 InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18,21,26H,7,9-13,15-16H2,1-3H3/t18?,21-,24+/m0/s1 LMHQMJCUYXWZDL-CUCYTBIASA-N 50001379 1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL337959 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001379&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350948 103915844 CHEMBL337959 ZINC27308541 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002100 C[C@H]1[C@H](O)[C@]2(CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)CCC1C2(C)C InChI=1S/C24H33NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19,21,26H,9,11-16H2,1-3H3/t17-,19?,21+,24-/m1/s1 WDCPKDGQHJWMLP-LYDGSDNNSA-N 50001382 3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL125847 Oxytocin receptor Rattus 590.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001382&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350978 103915847 CHEMBL125847 ZINC27308298 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002101 CC(C(O)=O)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C26H35NO5S/c1-18(22(28)29)26(30)16-20-9-11-25(26,23(20,2)3)17-33(31,32)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-8,10,18,20,30H,9,11-17H2,1-3H3,(H,28,29)/t18?,20?,25-,26-/m0/s1 VDGFGTUZLCJHTH-YSUMGRFDSA-N 50001383 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]propanoic acid::CHEMBL419422 Oxytocin receptor Rattus 1400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001383&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351212 103915848 CHEMBL419422 ZINC27309597 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002104 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)[C@@H](O)C2 InChI=1S/C24H35NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19,21,26H,5,7,9-17H2,1-2H3/t19?,21-,24+/m0/s1 TVMYQBSAKPQDBA-QYNLNAJJSA-N 50001386 (exo)-7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL126709 Oxytocin receptor Rattus 1000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001386&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350917 103915851 CHEMBL126709 ZINC27305687 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002106 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m0/s1 WHOYCZAZHQFDDJ-KTCLZCMPSA-N 50001347 7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL127118 Oxytocin receptor Rattus 2200 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001347&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350954 103915812 CHEMBL127118 ZINC00599628 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002108 Cc1cccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c12 InChI=1S/C24H31NO3S/c1-17-5-4-6-18-7-9-23(21(17)18)11-13-25(14-12-23)29(27,28)16-24-10-8-19(15-20(24)26)22(24,2)3/h4-7,9,19H,8,10-16H2,1-3H3/t19?,24-/m1/s1 SWFQTCOREPWUNL-JKSFWZLDSA-N 50001362 1-[4,7-dimethylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126824 Oxytocin receptor Rattus 6200 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001362&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351057 103915827 CHEMBL126824 ZINC27306265 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002111 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=C(c1ccccc31)c1ccccc1)C(=O)C2 InChI=1S/C29H33NO3S/c1-27(2)22-12-13-29(27,26(31)18-22)20-34(32,33)30-16-14-28(15-17-30)19-24(21-8-4-3-5-9-21)23-10-6-7-11-25(23)28/h3-11,19,22H,12-18,20H2,1-2H3/t22?,29-/m1/s1 ZMZIELBWSYWKMY-OLVCOQPYSA-N 50001388 7,7-dimethyl-1-[3-phenylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL125343 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001388&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351048 103915853 CHEMBL125343 ZINC27306109 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002112 O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1ccccc1 InChI=1S/C19H19NO2S/c21-23(22,17-7-2-1-3-8-17)20-14-12-19(13-15-20)11-10-16-6-4-5-9-18(16)19/h1-11H,12-15H2 NHHPAFWNVLQZIV-UHFFFAOYSA-N 50001389 1'-phenylsulfonylspiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL125358 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001389&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10358978 103915854 CHEMBL125358 ZINC13728194 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002114 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC#N)C2 InChI=1S/C25H32N2O3S/c1-22(2)20-8-10-24(22,25(28,17-20)11-14-26)18-31(29,30)27-15-12-23(13-16-27)9-7-19-5-3-4-6-21(19)23/h3-7,9,20,28H,8,10-13,15-18H2,1-2H3/t20?,24-,25+/m0/s1 AQSJOHFTCLAXDU-DUXSLQFZSA-N 50001390 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]hept-2-yl]acetonitrile::CHEMBL127049 Oxytocin receptor Rattus 770.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001390&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351251 103915855 CHEMBL127049 ZINC27308325 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002118 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(cc31)-c1ccccc1)C(=O)C2 InChI=1S/C29H33NO3S/c1-27(2)24-11-13-29(27,26(31)19-24)20-34(32,33)30-16-14-28(15-17-30)12-10-22-8-9-23(18-25(22)28)21-6-4-3-5-7-21/h3-10,12,18,24H,11,13-17,19-20H2,1-2H3/t24?,29-/m1/s1 IGYPYMFZJBOORK-HOINCLMKSA-N 50001391 1-[5,6-diphenylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL340897 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001391&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351054 103915856 CHEMBL340897 ZINC27306238 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002123 COC(=O)C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C26H35NO5S/c1-23(2)20-9-11-25(23,26(29,16-20)17-22(28)32-3)18-33(30,31)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-8,10,20,29H,9,11-18H2,1-3H3/t20?,25-,26-/m0/s1 ISEZDXIGVXIORK-RBCOLISLSA-N 50001348 CHEMBL130695::methyl 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]acetate Oxytocin receptor Rattus 350 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001348&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351232 103915813 CHEMBL130695 ZINC03800018 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002124 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)C(=O)C2 InChI=1S/C23H28FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3/t17?,23-/m1/s1 OHUVWMVXSQSNNS-IRCUZVAFSA-N 50001368 1-[5,6-difluorospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL338170 Oxytocin receptor Rattus 2300 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001368&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351156 103915833 CHEMBL338170 ZINC27309350 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002131 CCCCS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C17H23NO2S/c1-2-3-14-21(19,20)18-12-10-17(11-13-18)9-8-15-6-4-5-7-16(15)17/h4-9H,2-3,10-14H2,1H3 NPTPHUDYDLFRTH-UHFFFAOYSA-N 50001398 1'-butylsulfonylspiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338570 Oxytocin receptor Rattus >30000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001398&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10335267 103915863 CHEMBL338570 ZINC13728221 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002132 CC1(C)C2CC[C@@]1(CS(=O)(=O)NCCC1CCc3ccccc13)C(=O)C2 InChI=1S/C21H29NO3S/c1-20(2)17-9-11-21(20,19(23)13-17)14-26(24,25)22-12-10-16-8-7-15-5-3-4-6-18(15)16/h3-6,16-17,22H,7-14H2,1-2H3/t16?,17?,21-/m1/s1 DZAYYWWKNAJEMF-MYKUNDNFSA-N 50001392 C-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-N-(2-indan-1-yl-ethyl)-methanesulfonamide::CHEMBL339093 Oxytocin receptor Rattus 2200 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001392&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350850 103915857 CHEMBL339093 ZINC13728364 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002134 CCN(CCC1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1 InChI=1S/C20H25NO2S/c1-3-21(24(22,23)19-12-8-16(2)9-13-19)15-14-18-11-10-17-6-4-5-7-20(17)18/h4-9,12-13,18H,3,10-11,14-15H2,1-2H3 IFWQLDANAGMQRQ-UHFFFAOYSA-N 50001355 CHEMBL126194::N-Ethyl-N-(2-indan-1-yl-ethyl)-4-methyl-benzenesulfonamide Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001355&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10246858 103915820 CHEMBL126194 ZINC13728370 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002135 O=C(CC1CCCCC1=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C21H25NO2/c23-19-8-4-2-6-17(19)15-20(24)22-13-11-21(12-14-22)10-9-16-5-1-3-7-18(16)21/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2 YOQYDNBBKQQINO-UHFFFAOYSA-N 50001402 2-[2-oxo-2-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethyl]cyclohexanone::CHEMBL338470 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001402&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10381541 103915867 CHEMBL338470 ZINC13728402 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002137 COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)c1 InChI=1S/C24H31NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18H,7,9-13,15-16H2,1-3H3/t18?,24-/m1/s1 KEUAPJHQRRDFET-VCUSLETLSA-N 50001399 1-[5,6-dimethoxyspiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL13477 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001399&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44268713 103915864 CHEMBL13477 ZINC40465240 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002138 COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C21H21NO4S/c1-26-20(23)17-7-3-5-9-19(17)27(24,25)22-14-12-21(13-15-22)11-10-16-6-2-4-8-18(16)21/h2-11H,12-15H2,1H3 SVTAXVVDZOIZPK-UHFFFAOYSA-N 50001401 CHEMBL126565::methyl 2-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylbenzoate Oxytocin receptor Rattus 3000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001401&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10068542 103915866 CHEMBL126565 ZINC13728238 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002140 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1-c1ccccc31)C(=O)C2 InChI=1S/C27H31NO3S/c1-25(2)19-11-12-27(25,24(29)17-19)18-32(30,31)28-15-13-26(14-16-28)22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-10,19H,11-18H2,1-2H3/t19?,27-/m1/s1 SAPTTXKTAFFIET-MLARANPPSA-N 50001364 7,7-dimethyl-1-spiro[9H-fluorene-9,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL341119 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001364&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351051 103915829 CHEMBL341119 ZINC27308613 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002141 CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23-/m0/s1 WHOYCZAZHQFDDJ-YIZPITJQSA-N 50001395 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL338324 Oxytocin receptor Rattus 3900 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001395&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351229 103915860 CHEMBL338324 ZINC13728255 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002147 Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO2S/c1-16-6-2-5-9-19(16)24(22,23)21-14-12-20(13-15-21)11-10-17-7-3-4-8-18(17)20/h2-11H,12-15H2,1H3 NGZZNYDMMUHLOO-UHFFFAOYSA-N 50001381 1'-(2-methylphenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338605 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001381&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10404941 103915846 CHEMBL338605 ZINC13728191 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002148 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(Br)C(Br)c1ccccc31)C(=O)C2 InChI=1S/C23H29Br2NO3S/c1-21(2)15-7-8-23(21,18(27)13-15)14-30(28,29)26-11-9-22(10-12-26)17-6-4-3-5-16(17)19(24)20(22)25/h3-6,15,19-20H,7-14H2,1-2H3/t15?,19?,20?,23-/m1/s1 OBSODVFXWXEQLQ-BJPVNYJMSA-N 50001337 1-[2,3-dibromospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL339698 Oxytocin receptor Rattus 4500 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001337&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351210 103915802 CHEMBL339698 ZINC36348404 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002149 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)[C@@H](O)C2 InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17,20,26H,6,8-12,14-15H2,1-2H3/t17?,20-,23+/m0/s1 UWYRWJIHAHDDCD-FKJIFBSGSA-N 50001359 1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL130351 Oxytocin receptor Rattus 1900 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001359&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351071 103915824 CHEMBL130351 ZINC27307506 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002150 CCOC(=O)C(C)[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C28H39NO5S/c1-5-34-24(30)20(2)28(31)18-22-11-13-27(28,25(22,3)4)19-35(32,33)29-16-14-26(15-17-29)12-10-21-8-6-7-9-23(21)26/h6-10,12,20,22,31H,5,11,13-19H2,1-4H3/t20?,22?,27-,28-/m0/s1 DXJUYOVMVMIJTN-MKMSQJLMSA-N 50001339 CHEMBL338409::ethyl 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]propanoate Oxytocin receptor Rattus 890 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001339&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351248 103915804 CHEMBL338409 ZINC27309836 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002151 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)C(=O)C2 InChI=1S/C24H33NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19H,5,7,9-17H2,1-2H3/t19?,24-/m1/s1 FNKXXRGICBRBQT-JKSFWZLDSA-N 50001400 7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126717 Oxytocin receptor Rattus 1100 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001400&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350931 103915865 CHEMBL126717 ZINC27305826 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002156 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(Cl)ccc31)C(=O)C2 InChI=1S/C23H28ClNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3/t17?,23-/m1/s1 ZYOXZMGBJXJXRX-IRCUZVAFSA-N 50001408 1-[5,6-dichlorospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL128978 Oxytocin receptor Rattus 7600 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001408&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351157 103915873 CHEMBL128978 ZINC27309355 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002160 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](O)C2 InChI=1S/C23H33NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18,20,25H,7-16H2,1-2H3/t18?,20-,23-/m1/s1 RBJXKPAXHWNJDC-JSNZXPNTSA-N 50001404 (1R-enantiomer)2-[7,7-dimethyl-2-oxo-(1S,4R)-bicyclo[2.2.1]hept-1-yl]-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-1-ethanone::CHEMBL126999 Oxytocin receptor Rattus 340 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001404&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350982 103915869 CHEMBL126999 ZINC03800028 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002167 Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO2S/c1-16-6-8-18(9-7-16)24(22,23)21-14-12-20(13-15-21)11-10-17-4-2-3-5-19(17)20/h2-11H,12-15H2,1H3 VRVIZJNFYYAUKC-UHFFFAOYSA-N 50001405 1'-(4-methylphenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL341490 Oxytocin receptor Rattus 4000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001405&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9797987 103915870 CHEMBL341490 ZINC13728182 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002168 Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18BrNO2S/c20-17-7-3-4-8-18(17)24(22,23)21-13-11-19(12-14-21)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2 HFROYAFEOGMZJD-UHFFFAOYSA-N 50001370 1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL340581 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001370&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10250619 103915835 CHEMBL340581 ZINC13728202 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002173 CC1(C)C2CC[C@@]1(CC(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 InChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m1/s1 QZKDOLFDPNDPMR-VCUSLETLSA-N 50001377 (1S-enantiomer)2-[7,7-dimethyl-2-oxo-(1S,4R)-bicyclo[2.2.1]hept-1-yl]-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-1-ethanone::CHEMBL129513 Oxytocin receptor Rattus 760 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001377&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351004 103915842 CHEMBL129513 ZINC13728411 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002174 Fc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18FNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2 CFQNGTXFPLMLDT-UHFFFAOYSA-N 50001410 1'-(4-fluorophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL341108 Oxytocin receptor Rattus 7100 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001410&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9997556 103915875 CHEMBL341108 ZINC13728205 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002175 Cc1ccc(cc1)S(=O)(=O)NCCC1CCc2ccccc12 InChI=1S/C18H21NO2S/c1-14-6-10-17(11-7-14)22(20,21)19-13-12-16-9-8-15-4-2-3-5-18(15)16/h2-7,10-11,16,19H,8-9,12-13H2,1H3 YOOBNVWDKHQUEW-UHFFFAOYSA-N 50001344 CHEMBL126232::N-(2-Indan-1-yl-ethyl)-4-methyl-benzenesulfonamide Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001344&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10470975 103915809 CHEMBL126232 ZINC13728359 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002176 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(O)C(O)c1ccccc31)C(=O)C2 InChI=1S/C23H31NO5S/c1-21(2)15-7-8-23(21,18(25)13-15)14-30(28,29)24-11-9-22(10-12-24)17-6-4-3-5-16(17)19(26)20(22)27/h3-6,15,19-20,26-27H,7-14H2,1-2H3/t15?,19?,20?,23-/m1/s1 HTCWVBXKAAKRJK-BJPVNYJMSA-N 50001407 1-[2,3-dihydroxyspiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL341482 Oxytocin receptor Rattus >100000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001407&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351148 103915872 CHEMBL341482 ZINC38655675 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002178 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cccc(Cl)c31)C(=O)C2 InChI=1S/C23H28ClNO3S/c1-21(2)17-7-9-23(21,19(26)14-17)15-29(27,28)25-12-10-22(11-13-25)8-6-16-4-3-5-18(24)20(16)22/h3-6,8,17H,7,9-15H2,1-2H3/t17?,23-/m1/s1 JPJAJVCVOBLDQN-IRCUZVAFSA-N 50001350 1-[4,7-dichlorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL341039 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001350&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351233 103915815 CHEMBL341039 ZINC27307775 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002182 CCOC(=O)C1(CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 InChI=1S/C21H25NO4S/c1-3-26-20(23)21(18-7-5-4-6-8-18)13-15-22(16-14-21)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3 DLMIXKIRUDXSFI-UHFFFAOYSA-N 50001385 4-Phenyl-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid ethyl ester::CHEMBL126883 Oxytocin receptor Rattus >30000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001385&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10452813 103915850 CHEMBL126883 ZINC13728348 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002187 Brc1ccc(cc1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H18BrNO/c21-17-7-5-16(6-8-17)19(23)22-13-11-20(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-10H,11-14H2 RRKFZMRPNFJRSP-UHFFFAOYSA-N 50001380 4-bromophenyl-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylmethanone::CHEMBL127957 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001380&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10474169 103915845 CHEMBL127957 ZINC13728376 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002188 C[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C24H33NO3S/c1-21(2)19-9-11-24(21,22(3,26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,19,26H,9,11-17H2,1-3H3/t19?,22-,24+/m1/s1 NXFQFMQHRMNENU-OJJHJGFESA-N 50001361 2,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL129104 Oxytocin receptor Rattus 600 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001361&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351264 103915826 CHEMBL129104 ZINC00599630 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002190 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc34)C(C1)c1ccccc1)C(=O)C2 InChI=1S/C29H33NO3S/c1-27(2)23-13-15-29(27,26(31)18-23)20-34(32,33)30-17-16-28(14-12-22-10-6-7-11-24(22)28)25(19-30)21-8-4-3-5-9-21/h3-12,14,23,25H,13,15-20H2,1-2H3/t23?,25?,28?,29-/m1/s1 WIVGUQZLSVDYBV-UWSKJBMKSA-N 50001416 (1S-enantiomer)7,7-dimethyl-1-[3'-phenylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126708 Oxytocin receptor Rattus 8500 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001416&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351033 103915881 CHEMBL126708 ZINC36348407 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002191 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1 InChI=1S/C24H25NO2S/c1-20-12-14-23(15-13-20)28(26,27)25-18-16-24(17-19-25,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3 CZLGWQNCMKBTFW-UHFFFAOYSA-N 50001414 4,4-Diphenyl-1-(toluene-4-sulfonyl)-piperidine::CHEMBL419603 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001414&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10363060 103915879 CHEMBL419603 ZINC13728342 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002192 CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C25H35NO3S/c1-4-25(27)17-20-10-12-24(25,22(20,2)3)18-30(28,29)26-15-13-23(14-16-26)11-9-19-7-5-6-8-21(19)23/h5-9,11,20,27H,4,10,12-18H2,1-3H3/t20?,24-,25+/m0/s1 GLPCNINCUZWELB-DUXSLQFZSA-N 50001409 2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL338235 Oxytocin receptor Rattus 630 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001409&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351235 103915874 CHEMBL338235 ZINC00599631 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002198 CN1C(=O)C2(CCN(CC2)S(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)c2ccccc12 InChI=1S/C23H30N2O4S/c1-21(2)16-8-9-23(21,19(26)14-16)15-30(28,29)25-12-10-22(11-13-25)17-6-4-5-7-18(17)24(3)20(22)27/h4-7,16H,8-15H2,1-3H3/t16?,23-/m1/s1 HPLLFPMXQQRORV-IJBYHRAESA-N 50001375 1'-[7,7-dimethyl-2-oxo-(1S,4R)-bicyclo[2.2.1]hept-1-ylmethylsulfonyl]-1-methylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one::CHEMBL340465 Oxytocin receptor Rattus 6500 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001375&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351192 103915840 CHEMBL340465 ZINC27305754 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002199 COc1ccc2C=CC3(CCN(CC3)S(=O)(=O)C[C@]34CCC(C[C@@H]3O)C4(C)C)c2c1 InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)14-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-4-5-19(29-3)15-20(17)23/h4-6,8,15,18,21,26H,7,9-14,16H2,1-3H3/t18?,21-,24+/m0/s1 RWSAAPRZBRTHQG-CUCYTBIASA-N 50001415 1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL126026 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001415&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351032 103915880 CHEMBL126026 ZINC27305799 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002201 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18N2O4S/c22-21(23)16-5-7-17(8-6-16)26(24,25)20-13-11-19(12-14-20)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2 IOGOZNMOINHXJL-UHFFFAOYSA-N 50001420 1'-(4-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL126453 Oxytocin receptor Rattus 16000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001420&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10361799 103915885 CHEMBL126453 ZINC13728209 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002204 CC1CN(CCC11C=Cc2ccccc12)S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C InChI=1S/C24H31NO3S/c1-17-15-25(13-12-23(17)10-8-18-6-4-5-7-20(18)23)29(27,28)16-24-11-9-19(14-21(24)26)22(24,2)3/h4-8,10,17,19H,9,11-16H2,1-3H3/t17?,19?,23?,24-/m1/s1 MKYSQFPCLREISL-OOBWUBEHSA-N 50001356 (1S-enantiomer)7,7-dimethyl-1-[3'-methylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL125748 Oxytocin receptor Rattus 3700 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001356&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351052 103915821 CHEMBL125748 ZINC36348413 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002205 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1 InChI=1S/C18H21NO2S/c1-15-7-9-18(10-8-15)22(20,21)19-13-11-17(12-14-19)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3 WTNVRWQIBJTSDJ-UHFFFAOYSA-N 50001421 4-Phenyl-1-(toluene-4-sulfonyl)-piperidine::CHEMBL339866 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001421&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 4168466 103915886 CHEMBL339866 ZINC06814739 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002207 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1 InChI=1S/C17H20N2O2S/c1-15-7-9-17(10-8-15)22(20,21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3 UUVXQOJRYRAKLO-UHFFFAOYSA-N 50001419 1-Phenyl-4-(toluene-4-sulfonyl)-piperazine::CHEMBL126731 Oxytocin receptor Rattus >100000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001419&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 77620 103915884 CHEMBL126731 ZINC05987966 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002215 CC1C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C InChI=1S/C24H31NO3S/c1-17-19-9-11-24(21(17)26,22(19,2)3)16-29(27,28)25-14-12-23(13-15-25)10-8-18-6-4-5-7-20(18)23/h4-8,10,17,19H,9,11-16H2,1-3H3/t17?,19?,24-/m1/s1 ZIKSQYXDYRQMMQ-VWLBVBLESA-N 50001412 3,7,7-trimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one::CHEMBL127063 Oxytocin receptor Rattus 1300 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001412&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350953 103915877 CHEMBL127063 ZINC27305078 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002216 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)C(=O)C2 InChI=1S/C23H28FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17H,6,8-13,15H2,1-2H3/t17?,23-/m1/s1 BNMJXVWOIBLBIM-IRCUZVAFSA-N 50001423 1-[5,6-difluorospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL129498 Oxytocin receptor Rattus 2300 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001423&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351231 103915888 CHEMBL129498 ZINC27308798 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002217 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@H](O)C2 InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17,20,26H,6,8-13,15H2,1-2H3/t17?,20-,23-/m1/s1 NFAGEMWHQMZYBN-BININLDBSA-N 50001343 1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL339302 Oxytocin receptor Rattus 560.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001343&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351219 103915808 CHEMBL339302 ZINC27308347 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002218 O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1cccs1 InChI=1S/C17H17NO2S2/c19-22(20,16-6-3-13-21-16)18-11-9-17(10-12-18)8-7-14-4-1-2-5-15(14)17/h1-8,13H,9-12H2 HFSPTLVDVBNTEJ-UHFFFAOYSA-N 50001422 1'-(2-thienylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL126796 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001422&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9996817 103915887 CHEMBL126796 ZINC13728232 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002225 [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18N2O4S/c22-21(23)17-7-3-4-8-18(17)26(24,25)20-13-11-19(12-14-20)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2 TVJGORWFGDXIGO-UHFFFAOYSA-N 50001387 1'-(2-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL130186 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001387&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10067746 103915852 CHEMBL130186 ZINC13728215 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002226 CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C InChI=1S/C25H33NO3S/c1-22(2)20-10-12-25(21(22)27,23(20,3)4)17-30(28,29)26-15-13-24(14-16-26)11-9-18-7-5-6-8-19(18)24/h5-9,11,20H,10,12-17H2,1-4H3/t20?,25-/m1/s1 FSELYIOJGDOMIG-GBAXHLBXSA-N 50001403 3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one::CHEMBL269624 Oxytocin receptor Rattus 3400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001403&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44268726 103915868 CHEMBL269624 ZINC36348395 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002227 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(Cl)cc31)C(=O)C2 InChI=1S/C23H28ClNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17H,6,8-13,15H2,1-2H3/t17?,23-/m1/s1 IHWUUYVKUGPZQG-IRCUZVAFSA-N 50001393 1-[5,6-dichlorospiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL340588 Oxytocin receptor Rattus 7600 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001393&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351065 103915858 CHEMBL340588 ZINC27310011 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002232 O=S(=O)(Cc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO2S/c22-24(23,16-17-6-2-1-3-7-17)21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20/h1-11H,12-16H2 LSARVEVVBKXHAD-UHFFFAOYSA-N 50001427 1'-benzylsulfonylspiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL340141 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001427&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10246584 103915892 CHEMBL340141 ZINC13728224 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002238 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@@H](O)C2 InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)13-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-3-4-18(24)14-19(16)22/h3-5,7,14,17,20,26H,6,8-13,15H2,1-2H3/t17?,20-,23+/m0/s1 NFAGEMWHQMZYBN-FKJIFBSGSA-N 50001418 1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL341274 Oxytocin receptor Rattus 1900 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001418&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351053 103915883 CHEMBL341274 ZINC27308062 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002245 CC(=O)NC1C2CC[C@@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C1=O)C2(C)C InChI=1S/C25H34N2O4S/c1-17(28)26-21-20-9-11-25(22(21)29,23(20,2)3)16-32(30,31)27-14-12-24(13-15-27)10-8-18-6-4-5-7-19(18)24/h4-7,20-21H,8-16H2,1-3H3,(H,26,28)/t20?,21?,25-/m1/s1 SRJWFUAQZSAHCQ-UXIGSVSMSA-N 50001366 1N-[7,7-dimethyl-3-oxo-4-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]acetamide::CHEMBL340920 Oxytocin receptor Rattus 3400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001366&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351266 103915831 CHEMBL340920 ZINC27311644 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002251 O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27) DUODZCMEHSVISH-UHFFFAOYSA-N 50001425 1'N-(2-adamantyl)spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL127119 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001425&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 19908315 103915890 CHEMBL127119 ZINC13728396 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002255 [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18N2O4S/c22-21(23)16-5-3-6-17(14-16)26(24,25)20-12-10-19(11-13-20)9-8-15-4-1-2-7-18(15)19/h1-9,14H,10-13H2 DMQHJHDPONHWRM-UHFFFAOYSA-N 50001384 1'-(3-nitrophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL129708 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001384&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10317073 103915849 CHEMBL129708 ZINC13728212 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002257 Brc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C19H18BrNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2 OTYXVEUYHMHPRE-UHFFFAOYSA-N 50001340 1'-(4-bromophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338757 Oxytocin receptor Rattus 1200 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001340&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10386478 103915805 CHEMBL338757 ZINC13728197 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002258 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@](O)(C2)c1ccccc1 InChI=1S/C29H35NO3S/c1-26(2)24-13-15-28(26,29(31,20-24)23-9-4-3-5-10-23)21-34(32,33)30-18-16-27(17-19-30)14-12-22-8-6-7-11-25(22)27/h3-12,14,24,31H,13,15-21H2,1-2H3/t24?,28-,29-/m0/s1 CIXYXEJAJRKIDO-UTARDKEYSA-N 50001396 7,7-dimethyl-2-phenyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL340153 Oxytocin receptor Rattus 460 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001396&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351215 103915861 CHEMBL340153 ZINC03800022 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002261 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18?,23-/m1/s1 AAIYKQCKJSUOEL-WBPHRXDCSA-N 50001397 (1S-enantiomer)7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126962 Oxytocin receptor Rattus 1800 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001397&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351086 103915862 CHEMBL126962 ZINC13728244 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002262 O=C(CC1CCCCCCC1)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C23H31NO/c25-22(18-19-8-4-2-1-3-5-9-19)24-16-14-23(15-17-24)13-12-20-10-6-7-11-21(20)23/h6-7,10-13,19H,1-5,8-9,14-18H2 SKYLOCVKTGZMKA-UHFFFAOYSA-N 50001353 2-cyclooctyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-1-ethanone::CHEMBL341021 Oxytocin receptor Rattus 22000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001353&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10315031 103915818 CHEMBL341021 ZINC13728405 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002263 CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m1/s1 WHOYCZAZHQFDDJ-GXFFEGLMSA-N 50001413 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL338336 Oxytocin receptor Rattus 2500 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001413&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351087 103915878 CHEMBL338336 ZINC13731628 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002265 COc1ccc(cc1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C21H21NO2/c1-24-18-8-6-17(7-9-18)20(23)22-14-12-21(13-15-22)11-10-16-4-2-3-5-19(16)21/h2-11H,12-15H2,1H3 CVILDSCBKGDBGS-UHFFFAOYSA-N 50001429 4-methoxyphenyl-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylmethanone::CHEMBL129647 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001429&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10448639 103915894 CHEMBL129647 ZINC13728379 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002266 Cc1cccc(c1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO2S/c1-16-5-4-7-18(15-16)24(22,23)21-13-11-20(12-14-21)10-9-17-6-2-3-8-19(17)20/h2-10,15H,11-14H2,1H3 LXURPPOZXNGGAE-UHFFFAOYSA-N 50001345 1'-(3-methylphenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL125350 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001345&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10404940 103915810 CHEMBL125350 ZINC13728188 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002267 [O-][N+](=O)c1ccc(CS(=O)(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1 InChI=1S/C20H20N2O4S/c23-22(24)18-7-5-16(6-8-18)15-27(25,26)21-13-11-20(12-14-21)10-9-17-3-1-2-4-19(17)20/h1-10H,11-15H2 LJHUQNNGWZZXCW-UHFFFAOYSA-N 50001378 1'-(4-nitrobenzylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338814 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001378&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10068593 103915843 CHEMBL338814 ZINC13728227 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002268 Cc1cccc2c1C=CC21CCN(CC1)S(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C InChI=1S/C24H31NO3S/c1-17-5-4-6-20-19(17)8-9-23(20)11-13-25(14-12-23)29(27,28)16-24-10-7-18(15-21(24)26)22(24,2)3/h4-6,8-9,18H,7,10-16H2,1-3H3/t18?,24-/m1/s1 XDICFWJUUJQOOZ-VCUSLETLSA-N 50001376 1-[4,7-dimethylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL129581 Oxytocin receptor Rattus 6200 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001376&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351155 103915841 CHEMBL129581 ZINC27309347 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002270 Cc1ccc(NC(=O)N2CCC3(CC2)C=Cc2ccccc32)cc1 InChI=1S/C21H22N2O/c1-16-6-8-18(9-7-16)22-20(24)23-14-12-21(13-15-23)11-10-17-4-2-3-5-19(17)21/h2-11H,12-15H2,1H3,(H,22,24) ZRVVRLAPDXVKKO-UHFFFAOYSA-N 50001430 1'N-(4-methylphenyl)spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL340149 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001430&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10403606 103915895 CHEMBL340149 ZINC13728387 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002274 O=C(Cc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C21H21NO/c23-20(16-17-6-2-1-3-7-17)22-14-12-21(13-15-22)11-10-18-8-4-5-9-19(18)21/h1-11H,12-16H2 XOQCUPPMSJIRAZ-UHFFFAOYSA-N 50001424 2-phenyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-1-ethanone::CHEMBL341077 Oxytocin receptor Rattus 5000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001424&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10357626 103915889 CHEMBL341077 ZINC13728381 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002276 COc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-14-12-20(13-15-21)11-10-16-4-2-3-5-19(16)20/h2-11H,12-15H2,1H3 JPOGVRJMRKHDAG-UHFFFAOYSA-N 50001346 1'-(4-methoxyphenylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL126195 Oxytocin receptor Rattus 6000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001346&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10021111 103915811 CHEMBL126195 ZINC13728207 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002277 COc1ccc2c(C=CC22CCN(CC2)S(=O)(=O)C[C@]23CCC(C[C@H]2O)C3(C)C)c1 InChI=1S/C24H33NO4S/c1-22(2)18-7-9-24(22,21(26)15-18)16-30(27,28)25-12-10-23(11-13-25)8-6-17-14-19(29-3)4-5-20(17)23/h4-6,8,14,18,21,26H,7,9-13,15-16H2,1-3H3/t18?,21-,24-/m1/s1 LMHQMJCUYXWZDL-QMFJJHEJSA-N 50001428 1-[5,6-dimethoxyspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL341095 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001428&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350977 103915893 CHEMBL341095 ZINC27308293 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002279 O=C1CCCCC1CS(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H25NO3S/c22-19-8-4-2-6-17(19)15-25(23,24)21-13-11-20(12-14-21)10-9-16-5-1-3-7-18(16)20/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2 LQQRPXHFUDAXHB-UHFFFAOYSA-N 50001417 2-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]cyclohexanone::CHEMBL129246 Oxytocin receptor Rattus 6400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001417&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15011336 103915882 CHEMBL129246 ZINC13728252 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002281 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCCc4ccccc34)CC1)[C@H](O)C2 InChI=1S/C24H35NO3S/c1-22(2)19-9-11-24(22,21(26)16-19)17-29(27,28)25-14-12-23(13-15-25)10-5-7-18-6-3-4-8-20(18)23/h3-4,6,8,19,21,26H,5,7,9-17H2,1-2H3/t19?,21-,24-/m1/s1 TVMYQBSAKPQDBA-JNKRKRSOSA-N 50001406 (endo)-7,7-dimethyl-1-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL340102 Oxytocin receptor Rattus 2000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001406&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350916 103915871 CHEMBL340102 ZINC27305682 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002286 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(ccc31)-c1ccccc1)C(=O)C2 InChI=1S/C29H33NO3S/c1-27(2)24-11-13-29(27,26(31)19-24)20-34(32,33)30-16-14-28(15-17-30)12-10-23-18-22(8-9-25(23)28)21-6-4-3-5-7-21/h3-10,12,18,24H,11,13-17,19-20H2,1-2H3/t24?,29-/m1/s1 VZPVDPHUXZQWFN-HOINCLMKSA-N 50001426 1-[5,6-diphenylspiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL340695 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001426&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351093 103915891 CHEMBL340695 ZINC27306973 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002288 O=S(=O)(N1CCC2(CC1)C=Cc1ccccc21)c1ccc2ccccc2c1 InChI=1S/C23H21NO2S/c25-27(26,21-10-9-18-5-1-2-7-20(18)17-21)24-15-13-23(14-16-24)12-11-19-6-3-4-8-22(19)23/h1-12,17H,13-16H2 UATSKMRSHVFSOE-UHFFFAOYSA-N 50001432 1'-(2-naphthylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL125406 Oxytocin receptor Rattus 3000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001432&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10407141 103915897 CHEMBL125406 ZINC13728235 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002289 O=C(N1CCC2(CC1)C=Cc1ccccc21)c1ccccc1 InChI=1S/C20H19NO/c22-19(17-7-2-1-3-8-17)21-14-12-20(13-15-21)11-10-16-6-4-5-9-18(16)20/h1-11H,12-15H2 HZNBYWBVEQYHIV-UHFFFAOYSA-N 50001433 CHEMBL129413::phenyl-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylmethanone Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001433&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11778918 103915898 CHEMBL129413 ZINC13728373 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002290 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1)C(=O)C2 InChI=1S/C27H33NO3S/c1-25(2)23-13-14-27(25,24(29)19-23)20-32(30,31)28-17-15-26(16-18-28,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23H,13-20H2,1-2H3/t23?,27-/m1/s1 RUAKAZIVMTZJIV-IQHZPMLTSA-N 50001411 (1S-enantiomer)1-(4,4-diphenylhexahydro-1-pyridinylsulfonylmethyl)-7,7-dimethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL126025 Oxytocin receptor Rattus >10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001411&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351031 103915876 CHEMBL126025 ZINC27305794 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002294 O=S(=O)(\C=C\c1ccccc1)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C21H21NO2S/c23-25(24,17-11-18-6-2-1-3-7-18)22-15-13-21(14-16-22)12-10-19-8-4-5-9-20(19)21/h1-12,17H,13-16H2/b17-11+ HMQCGMUQHMJYNX-GZTJUZNOSA-N 50001431 1'-[2-phenyl-(E)-1-ethenylsulfonyl]spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL340383 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001431&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351224 103915896 CHEMBL340383 ZINC27306571 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002297 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1cc(F)ccc31)[C@H](O)C2 InChI=1S/C23H30FNO3S/c1-21(2)17-6-8-23(21,20(26)14-17)15-29(27,28)25-11-9-22(10-12-25)7-5-16-13-18(24)3-4-19(16)22/h3-5,7,13,17,20,26H,6,8-12,14-15H2,1-2H3/t17?,20-,23-/m1/s1 UWYRWJIHAHDDCD-BININLDBSA-N 50001354 1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL127016 Oxytocin receptor Rattus 560.0 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001354&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351092 103915819 CHEMBL127016 ZINC27306968 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002302 O=C(Nc1ccccc1)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H20N2O/c23-19(21-17-7-2-1-3-8-17)22-14-12-20(13-15-22)11-10-16-6-4-5-9-18(16)20/h1-11H,12-15H2,(H,21,23) AMAVQEOQAOKYQY-UHFFFAOYSA-N 50001434 1'N-phenylspiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide::CHEMBL337976 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001434&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10402786 103915899 CHEMBL337976 ZINC13728384 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50002304 CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18?,23-/m0/s1 AAIYKQCKJSUOEL-IMMUGOHXSA-N 50001394 (1R-enantiomer)7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL341267 Oxytocin receptor Rattus 2400 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001394&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351226 103915859 CHEMBL341267 ZINC13728241 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019873 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCNCN2C1=O InChI=1S/C39H52N10O6/c1-3-23(2)33-39(55)49-22-40-14-13-32(49)38(54)48-15-7-6-11-30(48)36(52)45-29(18-25-20-41-21-43-25)37(53)47-16-8-12-31(47)35(51)44-28(34(50)46-33)17-24-19-42-27-10-5-4-9-26(24)27/h4-5,9-10,19-21,23,28-33,40,42H,3,6-8,11-18,22H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t23-,28-,29-,30+,31+,32-,33-/m0/s1 WTETWKLTCVIOPR-PBKJTSCRSA-N 50013628 24-(1H-5-imidazolylmethyl)-16-(1H-3-indolylmethyl)-13-[1-methyl-(1S)-propyl]perhydropyrido[1,2-d]pyrimido[1,6-a]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL54443 Oxytocin receptor Rattus 5.3 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013628&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297574 103925725 CHEMBL54443 ZINC95536513 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019877 CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H54N6O6/c1-3-27(2)35-41(53)47-23-13-11-20-34(47)40(52)46-22-12-10-19-32(46)38(50)43-31(26-29-17-8-5-9-18-29)39(51)45-24-14-21-33(45)37(49)42-30(36(48)44-35)25-28-15-6-4-7-16-28/h4-9,15-18,27,30-35H,3,10-14,19-26H2,1-2H3,(H,42,49)(H,43,50)(H,44,48)/t27-,30+,31+,32-,33-,34+,35+/m0/s1 GCNSQAISKHRWNO-YVYVVVIZSA-N 50013632 16,24-dibenzyl-13-[1-methyl-(1S)-propyl]perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL297725 Oxytocin receptor Rattus 140 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013632&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297926 103925729 CHEMBL297725 ZINC29486784 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019878 CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O InChI=1S/C40H56N8O6/c1-4-26(2)34-40(54)48-25-42-21-19-32(48)37(51)43-29(17-11-20-41)38(52)46(3)33(24-28-15-9-6-10-16-28)39(53)47-22-12-18-31(47)36(50)44-30(35(49)45-34)23-27-13-7-5-8-14-27/h5-10,13-16,26,29-34,42H,4,11-12,17-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29+,30-,31+,32-,33-,34-/m1/s1 YFKASIKGYHDNJC-WCVBITMESA-N 50013633 18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19,24-heptaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL292579 Oxytocin receptor Rattus 17 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013633&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297577 103925730 CHEMBL292579 ZINC95542965 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019879 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34-/m0/s1 WCNGAVKBHXZVJO-FJVAKGSSSA-N 50013634 24-(1H-5-imidazolylmethyl)-16-(1H-3-indolylmethyl)-13-[1-methyl-(1S)-propyl]perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL52176 Oxytocin receptor Rattus 7.8 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013634&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297893 103925731 CHEMBL52176 ZINC95542265 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019883 CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[N@]2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H56N8O6/c1-4-28(2)37-42(56)51-19-11-10-17-35(51)40(54)48-21-23-49(24-22-48)43(57)47(3)36(25-29-13-6-5-7-14-29)41(55)50-20-12-18-34(50)39(53)45-33(38(52)46-37)26-30-27-44-32-16-9-8-15-31(30)32/h5-9,13-16,27-28,33-37,44H,4,10-12,17-26H2,1-3H3,(H,45,53)(H,46,52)/t28-,33-,34+,35-,36-,37-/m1/s1 FFIPKNOYSOECEH-HRHQHYIOSA-N 50013636 22-benzyl-13-(1H-3-indolylmethyl)-23-methyl-10-[1-methyl-(1R)-propyl]-1,8,11,14,20,23,25-heptaazatetracyclo[23.2.2.03,8.016,20]nonacosane-2,9,12,15,21,24-hexaone::CHEMBL301708 Oxytocin receptor Rattus 4.2 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013636&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297632 103925733 CHEMBL301708 ZINC95609976 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019885 CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O InChI=1S/C41H55N7O6/c1-4-27(2)35-41(54)48-26-42-21-20-33(48)39(52)47-22-12-11-18-32(47)38(51)45(3)34(25-29-16-9-6-10-17-29)40(53)46-23-13-19-31(46)37(50)43-30(36(49)44-35)24-28-14-7-5-8-15-28/h5-10,14-17,27,30-35,42H,4,11-13,18-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35+/m0/s1 HTIWTPWTPBGFAS-ANFHIVLNSA-N 50013630 16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]perhydropyrido[1,2-d]pyrimido[1,6-a]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL300103 Oxytocin receptor Rattus 5.9 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013630&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297864 103925727 CHEMBL300103 ZINC95609918 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019891 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31-,32-,33+,34+,35-,36-/m0/s1 ILLSOIRJMQNTIA-BQMAELMESA-N 50013635 24-(1H-5-imidazolylmethyl)-13-[1-methyl-(1S)-propyl]-16-(2-naphthylmethyl)perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL2372927 Oxytocin receptor Rattus 320 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013635&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 73356360 103925732 CHEMBL2372927 ZINC95542630 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019894 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O InChI=1S/C40H52N6O6/c1-4-26(2)34-40(52)46-23-13-20-32(46)38(50)45-22-12-19-31(45)37(49)43(3)33(25-28-16-9-6-10-17-28)39(51)44-21-11-18-30(44)36(48)41-29(35(47)42-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34H,4,11-13,18-25H2,1-3H3,(H,41,48)(H,42,47)/t26-,29+,30-,31-,32+,33+,34-/m0/s1 HXGGOWUTOKFJEM-NSTWBPGMSA-N 50001302 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::CHEMBL52813 Oxytocin receptor Rattus 1400 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001302&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10055619 103915767 CHEMBL52813 ZINC29486262 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019896 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C36H52N6O6/c1-5-23(2)30-36(48)42-20-12-10-17-29(42)35(47)41-19-11-9-16-28(41)34(46)39(4)24(3)33(45)40-21-13-18-27(40)32(44)37-26(31(43)38-30)22-25-14-7-6-8-15-25/h6-8,14-15,23-24,26-30H,5,9-13,16-22H2,1-4H3,(H,37,44)(H,38,43)/t23-,24+,26+,27-,28-,29+,30-/m0/s1 BBYBEVWKNIHAKF-WHBJEBMZSA-N 50013641 16-benzyl-24,25-dimethyl-13-[1-methyl-(1S)-propyl]perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL339493 Oxytocin receptor Rattus 490 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013641&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350887 103925738 CHEMBL339493 ZINC29487109 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019899 CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1 MGPMLSLXFSGRGR-GKGFYVCZSA-N 50013640 18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL2372928 Oxytocin receptor Rattus 49 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013640&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 73350314 103925737 CHEMBL2372928 ZINC95609850 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019907 C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C39H50N6O6/c1-26-36(48)44-21-11-10-19-32(44)38(50)45-22-12-9-18-31(45)37(49)42(2)33(25-28-16-7-4-8-17-28)39(51)43-23-13-20-30(43)35(47)41-29(34(46)40-26)24-27-14-5-3-6-15-27/h3-8,14-17,26,29-33H,9-13,18-25H2,1-2H3,(H,40,46)(H,41,47)/t26-,29+,30-,31-,32+,33+/m0/s1 JERDGULXMFCRDK-MCBGOINZSA-N 50013639 16,24-dibenzyl-13,25-dimethylperhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL2372932 Oxytocin receptor Rattus 12000 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013639&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372547 103925736 CHEMBL2372932 ZINC29487115 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019909 CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38+/m0/s1 ZJZVPGODNLHLEQ-FQABGADESA-N 50013638 24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-methyl-(1S)-propyl]perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL300642 Oxytocin receptor Rattus 8.1 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013638&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297555 103925735 CHEMBL300642 ZINC95609932 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019912 CCOc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N(C)C(=O)[C@@H]3CCCCN3C(=O)[C@H]3CCCCN3C(=O)[C@@H](NC2=O)[C@@H](C)CC)cc1 InChI=1S/C44H60N6O7/c1-5-29(3)38-44(56)50-25-13-11-18-36(50)42(54)49-24-12-10-17-35(49)41(53)47(4)37(28-30-15-8-7-9-16-30)43(55)48-26-14-19-34(48)40(52)45-33(39(51)46-38)27-31-20-22-32(23-21-31)57-6-2/h7-9,15-16,20-23,29,33-38H,5-6,10-14,17-19,24-28H2,1-4H3,(H,45,52)(H,46,51)/t29-,33+,34-,35-,36+,37+,38-/m0/s1 RHGYTOYYWKFYJE-DCEHPZEXSA-N 50013631 24-benzyl-16-(4-ethoxybenzyl)-25-methyl-13-[1-methyl-(1S)-propyl]perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL2372926 Oxytocin receptor Rattus 49 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013631&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 73353301 103925728 CHEMBL2372926 ZINC95609930 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50019916 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H56N6O6/c1-4-28(2)36-42(54)48-24-14-12-21-34(48)40(52)47-23-13-11-20-33(47)39(51)45(3)35(27-30-18-9-6-10-19-30)41(53)46-25-15-22-32(46)38(50)43-31(37(49)44-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27H2,1-3H3,(H,43,50)(H,44,49)/t28-,31+,32-,33-,34+,35+,36-/m0/s1 MIAHOWFGIYZPJD-JNXKOWIVSA-N 50013637 16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL339118 Oxytocin receptor Rattus 1600 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013637&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15666978 103925734 CHEMBL339118 ZINC29489355 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50033057 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 XNOPRXBHLZRZKH-DSZYJQQASA-N 50205990 CHEMBL395429::OXYTOCIN Oxytocin receptor Rattus 0.890000 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205990&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 439302 104084247 7872 CHEMBL395429 2176 C00746 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50038038 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1 MWIASLNTAGRGGA-ZJPWWDJASA-N 50326719 (S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tolylpiperazin-1-ylsulfonyl)methyl)bicyclo[2.2.1]heptan-2-yl)-4-(methylsulfonyl)butanamide::CHEMBL1253853 Oxytocin receptor Rattus 8.9 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326719&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9872389 123105834 CHEMBL1253853 ZINC03923061 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039167 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31-,32+,33+,34-,37+,38-/m0/s1 DWTAMXHTYCZNJY-RRNAUTILSA-N 50407339 CHEMBL1790307 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407339&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56678332 163356363 CHEMBL1790307 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039168 CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C52H74N14O12S2/c1-65-39(25-31-14-16-32(67)17-15-31)49(77)63-35(24-30-10-4-2-5-11-30)46(74)60-34(18-19-40(53)68)45(73)62-36(26-41(54)69)47(75)64-37(29-79-80-52(27-43(65)71)20-6-3-7-21-52)50(78)66-23-9-13-38(66)48(76)61-33(12-8-22-58-51(56)57)44(72)59-28-42(55)70/h2,4-5,10-11,14-17,33-39,67H,3,6-9,12-13,18-29H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,74)(H,61,76)(H,62,73)(H,63,77)(H,64,75)(H4,56,57,58)/t33-,34-,35+,36+,37+,38-,39-/m0/s1 IJPOCNNFPYKTHF-VZYFELKUSA-N 50407336 CHEMBL412616 Oxytocin receptor Rattus 25 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407336&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294844 163356360 CHEMBL412616 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039169 N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31+,32+,33-,34-/m1/s1 KBZOIRJILGZLEJ-ZMBMBZNCSA-N 50407346 CHEMBL408786 Oxytocin receptor Rattus 214 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407346&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294604 163356370 CHEMBL408786 C13662 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039170 CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40+,44-/m0/s1 WRLMWYFBMVMVFC-MDLXAUOMSA-N 50407349 CHEMBL265357 Oxytocin receptor Rattus 6.2 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407349&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294559 163356373 CHEMBL265357 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039171 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(71)55-31(16-17-36(50)62)42(67)56-32(23-37(51)63)43(68)57-33(47(72)60-21-9-11-34(60)44(69)54-30(10-8-20-49)41(66)53-25-38(52)64)26-73-74-48(18-6-5-7-19-48)24-39(65)59(3)35(45(70)58-40)22-28-12-14-29(61)15-13-28/h12-15,27,30-35,40,61H,4-11,16-26,49H2,1-3H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,69)(H,55,71)(H,56,67)(H,57,68)(H,58,70)/t27-,30-,31-,32+,33-,34-,35-,40+/m0/s1 FEIVHZFHJGKMRY-YWJUHOGJSA-N 50407350 CHEMBL263521 Oxytocin receptor Rattus 3 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407350&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294473 163356374 CHEMBL263521 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039174 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C50H75N15O11S2/c1-3-27(2)41-47(75)61-32(15-16-37(51)66)43(71)62-34(23-38(52)67)44(72)63-35(48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)57-25-39(53)68)26-77-78-50(17-7-4-8-18-50)24-40(69)59-33(45(73)64-41)22-29-21-28-11-5-6-12-30(28)58-29/h5-6,11-12,21,27,31-36,41,58H,3-4,7-10,13-20,22-26H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34+,35+,36-,41+/m0/s1 HFVDYVQLASNLPU-LCFYOGMCSA-N 50407343 CHEMBL412806 Oxytocin receptor Rattus 5.1 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407343&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294316 163356367 CHEMBL412806 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039175 CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38-,39-,40+,44-/m0/s1 WRLMWYFBMVMVFC-MDUYIBJRSA-N 50407333 CHEMBL412942 Oxytocin receptor Rattus 4.8 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407333&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294560 163356357 CHEMBL412942 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039176 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(71)55-31(16-17-36(50)62)42(67)56-32(23-37(51)63)43(68)57-33(47(72)60-21-9-11-34(60)44(69)54-30(10-8-20-49)41(66)53-25-38(52)64)26-73-74-48(18-6-5-7-19-48)24-39(65)59(3)35(45(70)58-40)22-28-12-14-29(61)15-13-28/h12-15,27,30-35,40,61H,4-11,16-26,49H2,1-3H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,69)(H,55,71)(H,56,67)(H,57,68)(H,58,70)/t27-,30-,31-,32+,33+,34-,35-,40+/m0/s1 FEIVHZFHJGKMRY-OUOUSVCESA-N 50407344 CHEMBL261914 Oxytocin receptor Rattus 22 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407344&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294885 163356368 CHEMBL261914 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039177 CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38-,39-,40-,44-/m0/s1 WRLMWYFBMVMVFC-PEFSNLBISA-N 50407332 CHEMBL405005 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407332&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294602 163356356 CHEMBL405005 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039178 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C50H75N15O11S2/c1-3-27(2)41-47(75)61-32(15-16-37(51)66)43(71)62-34(23-38(52)67)44(72)63-35(48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)57-25-39(53)68)26-77-78-50(17-7-4-8-18-50)24-40(69)59-33(45(73)64-41)22-29-21-28-11-5-6-12-30(28)58-29/h5-6,11-12,21,27,31-36,41,58H,3-4,7-10,13-20,22-26H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34+,35-,36-,41+/m0/s1 HFVDYVQLASNLPU-RBSUJZTISA-N 50407335 CHEMBL428187 Oxytocin receptor Rattus 17 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407335&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294317 163356359 CHEMBL428187 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039179 CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C52H74N14O12S2/c1-65-39(25-31-14-16-32(67)17-15-31)49(77)63-35(24-30-10-4-2-5-11-30)46(74)60-34(18-19-40(53)68)45(73)62-36(26-41(54)69)47(75)64-37(29-79-80-52(27-43(65)71)20-6-3-7-21-52)50(78)66-23-9-13-38(66)48(76)61-33(12-8-22-58-51(56)57)44(72)59-28-42(55)70/h2,4-5,10-11,14-17,33-39,67H,3,6-9,12-13,18-29H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,74)(H,61,76)(H,62,73)(H,63,77)(H,64,75)(H4,56,57,58)/t33-,34-,35+,36+,37-,38-,39-/m0/s1 IJPOCNNFPYKTHF-VFWTTWRZSA-N 50407342 CHEMBL415160 Oxytocin receptor Rattus 7.4 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407342&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294603 163356366 CHEMBL415160 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039180 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31+,32-,33-,36+,37-/m0/s1 XYAQUABLEDHOGT-ICMSTALXSA-N 50407334 CHEMBL1790313 Oxytocin receptor Rattus 19 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407334&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664708 163356358 CHEMBL1790313 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039181 CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40-,44-/m0/s1 WRLMWYFBMVMVFC-SRLQJIMUSA-N 50407341 CHEMBL264449 Oxytocin receptor Rattus 26 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407341&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294854 163356365 CHEMBL264449 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039182 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C54H79N11O13S2/c1-5-30(2)44-51(76)63-45(31(3)66)52(77)60-38(27-42(56)69)48(73)61-39(29-79-80-54(21-7-6-8-22-54)28-43(70)64(4)41(50(75)62-44)26-33-15-19-35(68)20-16-33)53(78)65-24-10-12-40(65)49(74)58-36(11-9-23-55)47(72)59-37(46(57)71)25-32-13-17-34(67)18-14-32/h13-20,30-31,36-41,44-45,66-68H,5-12,21-29,55H2,1-4H3,(H2,56,69)(H2,57,71)(H,58,74)(H,59,72)(H,60,77)(H,61,73)(H,62,75)(H,63,76)/t30-,31+,36-,37-,38+,39-,40-,41-,44+,45-/m0/s1 MWODLZMVDVZXMT-MVWRPUJDSA-N 50407345 CHEMBL1790315 Oxytocin receptor Rattus 23 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407345&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56668119 163356369 CHEMBL1790315 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039183 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31-,32-,33-,36+,37-/m0/s1 XYAQUABLEDHOGT-BFQOKCKNSA-N 50407337 CHEMBL1790314 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407337&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56657725 163356361 CHEMBL1790314 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039184 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31-,32+,33-,34-,37+,38-/m0/s1 DWTAMXHTYCZNJY-WAMYDPQPSA-N 50407348 CHEMBL1790312 Oxytocin receptor Rattus 9.6 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407348&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56657724 163356372 CHEMBL1790312 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039185 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C54H79N11O13S2/c1-5-30(2)44-51(76)63-45(31(3)66)52(77)60-38(27-42(56)69)48(73)61-39(29-79-80-54(21-7-6-8-22-54)28-43(70)64(4)41(50(75)62-44)26-33-15-19-35(68)20-16-33)53(78)65-24-10-12-40(65)49(74)58-36(11-9-23-55)47(72)59-37(46(57)71)25-32-13-17-34(67)18-14-32/h13-20,30-31,36-41,44-45,66-68H,5-12,21-29,55H2,1-4H3,(H2,56,69)(H2,57,71)(H,58,74)(H,59,72)(H,60,77)(H,61,73)(H,62,75)(H,63,76)/t30-,31+,36-,37-,38+,39+,40-,41-,44+,45-/m0/s1 MWODLZMVDVZXMT-IKRQSWSISA-N 50407340 CHEMBL1790310 Oxytocin receptor Rattus 11 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407340&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664707 163356364 CHEMBL1790310 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50039186 CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C51H73N13O10S2/c1-30(2)42-48(73)61-36(26-39(52)65)45(70)62-37(49(74)64-23-13-19-38(64)47(72)59-33(18-12-22-56-50(54)55)43(68)57-28-40(53)66)29-75-76-51(20-10-5-11-21-51)27-41(67)58-34(24-31-14-6-3-7-15-31)44(69)60-35(46(71)63-42)25-32-16-8-4-9-17-32/h3-4,6-9,14-17,30,33-38,42H,5,10-13,18-29H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34+,35+,36+,37+,38-,42-/m0/s1 AUPQOJCSCYBFTO-GUFAJMNWSA-N 50407338 CHEMBL385062 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407338&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294863 163356362 CHEMBL385062 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044540 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12 InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32) ARYCLQZCSNCCEN-UHFFFAOYSA-N 50029645 CHEMBL143341::N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-quinazolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide Oxytocin receptor Rattus 2400 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029645&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44361521 103938695 CHEMBL143341 ZINC13744292 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044541 COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3 WDERJSQJYIJOPD-UHFFFAOYSA-N 50029649 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one::1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24781::L-371257 Oxytocin receptor Rattus 19 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029649&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918320 103938699 CHEMBL24781 2252 ZINC03824080 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044545 CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3 UQJLIMBRSSQCGI-UHFFFAOYSA-N 50029646 1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL358793 Oxytocin receptor Rattus 69 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029646&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44361522 103938696 CHEMBL358793 ZINC13744308 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044547 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30) KSNUCNRMDYJBKT-UHFFFAOYSA-N 50029644 CHEMBL296908::N-(3-(4-(4-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)piperidine-1-carbonyl)phenoxy)propyl)acetamide::N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide::OPC-1268::OPC-21268 Oxytocin receptor Rattus 230 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029644&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 114904 103938694 CHEMBL296908 2196 ZINC03796262 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044556 CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3 IEEUPKSLKYFCDK-UHFFFAOYSA-N 50029643 1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL344752 Oxytocin receptor Rattus 130 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029643&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44361387 103938693 CHEMBL344752 ZINC13744299 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044562 CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29) VTDRFBDVHAQBEB-UHFFFAOYSA-N 50029648 CHEMBL143304::N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide Oxytocin receptor Rattus 200 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029648&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44361406 103938698 CHEMBL143304 ZINC13744294 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50044565 CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1 InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3 NSVGIITTZNEHBU-UHFFFAOYSA-N 50029647 1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL142324 Oxytocin receptor Rattus 340 ChEMBL 10.1021/jm00023a002 10.7270/Q2ZW1JXC 7473590 Williams, PD; Clineschmidt, BV; Erb, JM; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Veber, DF Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029647&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44361403 103938697 CHEMBL142324 ZINC13744305 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50050681 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 XNOPRXBHLZRZKH-DSZYJQQASA-N 50205990 CHEMBL395429::OXYTOCIN Oxytocin receptor Rattus 1.7 ChEMBL 10.1021/jm9607156 10.7270/Q28P5ZK3 9083475 Chen, L; Zoulikova, I; Slaninova, J; Barany, G University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205990&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 439302 104084247 7872 CHEMBL395429 2176 C00746 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057461 C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C39H50N6O6/c1-26-36(48)44-21-11-10-19-32(44)38(50)45-22-12-9-18-31(45)37(49)42(2)33(25-28-16-7-4-8-17-28)39(51)43-23-13-20-30(43)35(47)41-29(34(46)40-26)24-27-14-5-3-6-15-27/h3-8,14-17,26,29-33H,9-13,18-25H2,1-2H3,(H,40,46)(H,41,47)/t26-,29+,30-,31-,32+,33-/m0/s1 JERDGULXMFCRDK-GLJCIFSQSA-N 50406695 CHEMBL2112656 Oxytocin receptor Rattus 30000 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406695&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 71450885 163355719 CHEMBL2112656 ZINC27306415 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057497 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-34(50)40(55)49-17-9-7-14-32(49)38(53)45-30(21-27-22-42-24-43-27)39(54)48-19-11-16-33(48)37(52)44-29(36(51)46-35)20-26-23-47(3)31-13-6-5-12-28(26)31/h5-6,12-13,22-25,29-30,32-35H,4,7-11,14-21H2,1-3H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)/t25-,29+,30+,32-,33-,34+,35-/m0/s1 SUNHUNZIGMRKTB-GOXSYBKXSA-N 50406698 CHEMBL2112247 Oxytocin receptor Rattus 10 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406698&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10373010 163355722 CHEMBL2112247 ZINC95607074 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057505 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1 KHZMWMBLYZHOQJ-KXQLWDMUSA-N 81894 Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-D-His-]::J325.349J::L-366,875 Oxytocin receptor Rattus 6 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81894&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372918 131342468 ZINC95536515 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057508 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1 FZODYNLXPKUMGF-YCTRJVDCSA-N 50406697 CHEMBL2112250 Oxytocin receptor Rattus 8.3 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406697&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10462867 163355721 CHEMBL2112250 ZINC95606702 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057543 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H56N6O6/c1-6-27(2)35-41(53)47-24-16-14-22-33(47)40(52)46-23-15-13-21-32(46)38(50)45(5)34(26-30-19-11-8-12-20-30)39(51)44(4)28(3)36(48)42-31(37(49)43-35)25-29-17-9-7-10-18-29/h7-12,17-20,27-28,31-35H,6,13-16,21-26H2,1-5H3,(H,42,48)(H,43,49)/t27-,28-,31+,32-,33+,34+,35-/m0/s1 MPUGMRKHMBWWSJ-JYQBIQBTSA-N 50406693 CHEMBL2112650 Oxytocin receptor Rattus 930 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406693&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 71450884 163355717 CHEMBL2112650 ZINC27302493 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057544 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38-/m0/s1 ZJZVPGODNLHLEQ-HCPMNOJRSA-N 50406696 CHEMBL2112651 Oxytocin receptor Rattus 20 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406696&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9987791 163355720 CHEMBL2112651 ZINC95607435 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057554 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1 WCNGAVKBHXZVJO-DGPYOIOTSA-N 50368435 CHEMBL1790937 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368435&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664766 160847537 CHEMBL1790937 ZINC95548199 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057558 CC1(C)C2CC[C@]1(CC(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 InChI=1S/C24H29NO2/c1-22(2)18-8-10-24(22,20(26)15-18)16-21(27)25-13-11-23(12-14-25)9-7-17-5-3-4-6-19(17)23/h3-7,9,18H,8,10-16H2,1-2H3/t18?,24-/m0/s1 QZKDOLFDPNDPMR-LUTIACGYSA-N 50406699 CHEMBL2111847 Oxytocin receptor Rattus 8700 ChEMBL 10.1021/jm00099a020 10.7270/Q2N015G7 1331449 Evans, BE; Leighton, JL; Rittle, KE; Gilbert, KF; Lundell, GF; Gould, NP; Hobbs, DW; DiPardo, RM; Veber, DF; Pettibone, DJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406699&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 71456175 163355723 CHEMBL2111847 ZINC13728408 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057528 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1 ILLSOIRJMQNTIA-YCTRJVDCSA-N 50406692 CHEMBL2112249 Oxytocin receptor Rattus 0.700000 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406692&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10078889 163355716 CHEMBL2112249 ZINC95606189 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057423 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1 XPKURONBKQLLCO-NNEDNOOKSA-N 50001311 24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydropyrazino[1,2-d]pyrido[1,2-a]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL435021 Oxytocin receptor Rattus 3.4 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001311&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10259652 103915776 CHEMBL435021 ZINC95614617 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057441 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C38H57N7O6/c1-3-25(2)32-38(51)45-22-12-9-18-31(45)37(50)44-21-11-8-17-29(44)34(47)40-27(16-7-10-20-39)36(49)43-23-13-19-30(43)35(48)41-28(33(46)42-32)24-26-14-5-4-6-15-26/h4-6,14-15,25,27-32H,3,7-13,16-24,39H2,1-2H3,(H,40,47)(H,41,48)(H,42,46)/t25-,27+,28+,29-,30-,31+,32-/m0/s1 PKEOLSOHADTJNC-IRULUFEFSA-N 50406694 CHEMBL2112655 Oxytocin receptor Rattus 410 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406694&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10395028 163355718 CHEMBL2112655 ZINC27309033 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057447 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1 IFHSSGUGRIXWQU-NSTWBPGMSA-N 50001309 (cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehydropiperazyl-L-dehydropiperazyl-D(N-methyl)phenylalanyl])(L-365,209)::CHEMBL127686::L-365209 Oxytocin receptor Rattus 7.3 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001309&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9810632 103915774 CHEMBL127686 2241 ZINC26386665 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057452 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C38H52N8O6/c1-3-24(2)32-38(52)46-18-10-8-15-31(46)37(51)45-17-9-7-14-29(45)35(49)42-28(21-26-22-39-23-40-26)36(50)44-19-11-16-30(44)34(48)41-27(33(47)43-32)20-25-12-5-4-6-13-25/h4-6,12-13,22-24,27-32H,3,7-11,14-21H2,1-2H3,(H,39,40)(H,41,48)(H,42,49)(H,43,47)/t24-,27+,28+,29-,30-,31+,32-/m0/s1 UDNIQKUXSMSUBQ-PIVQSOLLSA-N 50406691 CHEMBL2112654 Oxytocin receptor Rattus 88 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406691&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10327512 163355715 CHEMBL2112654 ZINC27309025 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061958 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCS(C)(=O)=O InChI=1S/C28H43N3O5S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-37(3,33)34)19-38(35,36)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23-,24+,28-/m1/s1 SOXQJPCRICFUHO-FFMLRLECSA-N 50407011 CHEMBL2111851 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407011&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10483039 163356035 CHEMBL2111851 ZINC27320780 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061961 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCS(C)(=O)=O InChI=1S/C28H43N3O5S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-37(3,33)34)19-38(35,36)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23+,24+,28-/m1/s1 SOXQJPCRICFUHO-QTRWAJEPSA-N 50407012 CHEMBL2112666 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407012&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10257352 163356036 CHEMBL2112666 ZINC03915327 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061962 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2 InChI=1S/C28H43N3O6S2/c1-25(2)21-9-11-27(25,28(33,16-21)18-30-24(32)23(29)17-38(3,34)35)19-39(36,37)31-14-12-26(13-15-31)10-8-20-6-4-5-7-22(20)26/h4-7,21,23,33H,8-19,29H2,1-3H3,(H,30,32)/t21-,23?,27+,28-/m1/s1 FEVGJJNJVGFMJE-QBVGELNHSA-N 50407010 CHEMBL2112663 Oxytocin receptor Rattus 40 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407010&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 71449094 163356034 CHEMBL2112663 ZINC95607460 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061963 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1 YQVPQHMUUUTVSU-WKJRGHSNSA-N 50043118 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL341289 Oxytocin receptor Rattus 13.0 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043118&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929299 103974589 CHEMBL341289 ZINC14285470 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061964 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NC1CN2CCC1CC2 InChI=1S/C31H46N4O3S/c1-29(2)24-8-12-31(29,27(19-24)33-28(36)32-26-20-34-15-9-23(26)10-16-34)21-39(37,38)35-17-13-30(14-18-35)11-7-22-5-3-4-6-25(22)30/h3-6,23-24,26-27H,7-21H2,1-2H3,(H2,32,33,36)/t24-,26?,27+,31-/m1/s1 RRGFYPFFXNYKFX-MBCNDWFISA-N 50043083 2-quinuclidin-3-yl ureido}-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL132210::Isomer-B2-quinuclidin-3-yl ureido}-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)] Oxytocin receptor Rattus 47 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043083&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10030575 103974554 CHEMBL132210 ZINC27318992 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50060479 CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-] InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 ZFWDLVGJBOEMQX-XJIZABAQSA-N 50038602 4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL412192 Oxytocin receptor Rattus 4.8 ChEMBL 10.1021/jm00038a013 10.7270/Q2R49PST 8021923 Carnazzi, E; Aumelas, A; Barberis, C; Guillon, G; Seyer, R UPR 9023 CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038602&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297516 103945902 CHEMBL412192 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50060480 CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-] InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1 MUBQYMJRLHHJFY-HTSIWFDASA-N 50038599 4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL405440 Oxytocin receptor Rattus 18 ChEMBL 10.1021/jm00038a013 10.7270/Q2R49PST 8021923 Carnazzi, E; Aumelas, A; Barberis, C; Guillon, G; Seyer, R UPR 9023 CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038599&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297517 103945899 CHEMBL405440 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50060489 CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-] InChI=1S/C62H82N20O13/c1-81(52(87)33-38-11-5-12-39(29-38)79-80-70)49(32-37-18-22-41(84)23-19-37)59(94)78-46(31-35-9-3-2-4-10-35)56(91)73-43(24-25-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(14-7-27-72-62(68)69)60(95)82-28-8-15-48(82)58(93)74-42(13-6-26-71-61(66)67)54(89)76-45(53(65)88)30-36-16-20-40(83)21-17-36/h2-5,9-12,16-23,29,42-49,83-84H,6-8,13-15,24-28,30-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 LOWQBFZDOLMGGU-XJIZABAQSA-N 50038604 3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::3-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL441195 Oxytocin receptor Rattus 0.65 ChEMBL 10.1021/jm00038a013 10.7270/Q2R49PST 8021923 Carnazzi, E; Aumelas, A; Barberis, C; Guillon, G; Seyer, R UPR 9023 CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038604&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297449 103945904 CHEMBL441195 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50060496 CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-] InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 VYKHPCNFHDHQTD-COQAPAFSSA-N 50038603 3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL265048 Oxytocin receptor Rattus 1.4 ChEMBL 10.1021/jm00038a013 10.7270/Q2R49PST 8021923 Carnazzi, E; Aumelas, A; Barberis, C; Guillon, G; Seyer, R UPR 9023 CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038603&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297525 103945903 CHEMBL265048 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50060504 CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-] InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 LONVIEZKUWPIMS-COQAPAFSSA-N 50038601 4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr(I)-NH2::4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2::CHEMBL424905 Oxytocin receptor Rattus 37.7 ChEMBL 10.1021/jm00038a013 10.7270/Q2R49PST 8021923 Carnazzi, E; Aumelas, A; Barberis, C; Guillon, G; Seyer, R UPR 9023 CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038601&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44297505 103945901 CHEMBL424905 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068656 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCn1ccnc1 InChI=1S/C29H40N4O3S/c1-27(2)23-8-11-29(27,25(19-23)31-26(34)9-15-32-18-14-30-21-32)20-37(35,36)33-16-12-28(13-17-33)10-7-22-5-3-4-6-24(22)28/h3-6,14,18,21,23,25H,7-13,15-17,19-20H2,1-2H3,(H,31,34)/t23-,25+,29-/m1/s1 TWTORTJARQLAII-OBZNHSRCSA-N 50043056 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-(1H-1-imidazolyl)propanamide::CHEMBL421090 Oxytocin receptor Rattus 140 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043056&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10075516 103974527 CHEMBL421090 ZINC27320398 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068662 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)NC(=O)C1=O InChI=1S/C26H33N3O5S/c1-24(2)18-8-10-26(24,20(15-18)29-22(31)21(30)27-23(29)32)16-35(33,34)28-13-11-25(12-14-28)9-7-17-5-3-4-6-19(17)25/h3-6,18,20H,7-16H2,1-2H3,(H,27,30,32)/t18-,20+,26-/m1/s1 PGAUQYJGPBUCRZ-ZTEVPRNISA-N 50043050 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,4,5-imidazoletrione::CHEMBL339096 Oxytocin receptor Rattus 180 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043050&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10323684 103974521 CHEMBL339096 ZINC27319553 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068669 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(O)=O)C1=O InChI=1S/C29H38N2O6S/c1-27(2)21-8-10-29(27,23(17-21)31-24(32)15-20(26(31)35)16-25(33)34)18-38(36,37)30-13-11-28(12-14-30)9-7-19-5-3-4-6-22(19)28/h3-6,20-21,23H,7-18H2,1-2H3,(H,33,34)/t20?,21-,23+,29-/m1/s1 WNESVHIUEBKESY-LUSSHDGUSA-N 50043062 2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolyl}acetic acid::CHEMBL337221 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043062&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10392579 103974533 CHEMBL337221 ZINC27324759 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068676 CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C28H40N2O3S/c1-20-8-9-25(31)30(20)24-18-22-11-13-28(24,26(22,2)3)19-34(32,33)29-16-14-27(15-17-29)12-10-21-6-4-5-7-23(21)27/h4-7,20,22,24H,8-19H2,1-3H3/t20?,22-,24+,28-/m1/s1 FYOWCEWBSIGRDW-FWZMRBANSA-N 50043067 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-methyltetrahydro-1H-2-pyrrolone::CHEMBL338635 Oxytocin receptor Rattus 180 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043067&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10345259 103974538 CHEMBL338635 ZINC27320572 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068678 Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C28H38N4O3S/c1-19-24(30-18-29-19)25(33)31-23-16-21-9-11-28(23,26(21,2)3)17-36(34,35)32-14-12-27(13-15-32)10-8-20-6-4-5-7-22(20)27/h4-7,18,21,23H,8-17H2,1-3H3,(H,29,30)(H,31,33)/t21-,23+,28-/m1/s1 JFFRUUYEZXEWSD-ZLIGTFTASA-N 50043053 4N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-methyl-1H-4-imidazolecarboxamide::CHEMBL128327 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043053&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10029340 103974524 CHEMBL128327 ZINC27317790 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068682 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CCC(=N)n2c1=O InChI=1S/C29H38N4O4S/c1-27(2)20-10-12-29(27,23(17-20)33-25(34)22-7-8-24(30)32(22)26(33)35)18-38(36,37)31-15-13-28(14-16-31)11-9-19-5-3-4-6-21(19)28/h3-6,20,23,30,34H,7-18H2,1-2H3/t20-,23+,29-/m1/s1 YLUGFROWSBJMJO-YOZPAVSOSA-N 50043079 2-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-iminoperhydropyrrolo[1,2-c]imidazole-1,3-dione::CHEMBL129983 Oxytocin receptor Rattus 21 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043079&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929289 103974550 CHEMBL129983 ZINC27328680 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068683 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CCCCC1 InChI=1S/C30H44N2O3S/c1-28(2)24-13-15-30(28,26(20-24)31-27(33)23-9-4-3-5-10-23)21-36(34,35)32-18-16-29(17-19-32)14-12-22-8-6-7-11-25(22)29/h6-8,11,23-24,26H,3-5,9-10,12-21H2,1-2H3,(H,31,33)/t24-,26+,30-/m1/s1 SMZMNJFFHQLHHM-MQRABVPWSA-N 50043072 2-cyclohexylcarboxamido-7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL435398 Oxytocin receptor Rattus 650 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043072&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10414067 103974543 CHEMBL435398 ZINC27325108 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068687 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CN1CC[C@H](N)C1=O InChI=1S/C29H42N4O4S/c1-27(2)21-8-11-29(27,24(17-21)31-25(34)18-32-14-9-23(30)26(32)35)19-38(36,37)33-15-12-28(13-16-33)10-7-20-5-3-4-6-22(20)28/h3-6,21,23-24H,7-19,30H2,1-2H3,(H,31,34)/t21-,23+,24+,29-/m1/s1 SMTSPXQKAISTBU-KXPNLRIWSA-N 50043048 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-[3-amino-2-oxo-(3S)-tetrahydro-1H-1-pyrrolyl]acetamide::CHEMBL128228 Oxytocin receptor Rattus 61 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043048&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10370127 103974519 CHEMBL128228 ZINC27319558 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068691 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c[nH]c1=O InChI=1S/C26H35N3O4S/c1-24(2)19-8-10-26(24,21(15-19)29-22(30)16-27-23(29)31)17-34(32,33)28-13-11-25(12-14-28)9-7-18-5-3-4-6-20(18)25/h3-6,16,19,21,30H,7-15,17H2,1-2H3,(H,27,31)/t19-,21+,26-/m1/s1 KOIYPNHCOWRZHA-BNIKKZEQSA-N 50043076 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,4-imidazoledione::CHEMBL338383 Oxytocin receptor Rattus 18 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043076&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929287 103974547 CHEMBL338383 ZINC27317463 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068692 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(N)(=O)=O)[nH]c1=O InChI=1S/C28H40N4O6S2/c1-26(2)20-8-11-28(26,23(17-20)32-24(33)22(30-25(32)34)9-16-39(29,35)36)18-40(37,38)31-14-12-27(13-15-31)10-7-19-5-3-4-6-21(19)27/h3-6,20,23,33H,7-18H2,1-2H3,(H,30,34)(H2,29,35,36)/t20-,23+,28-/m1/s1 SPKSSWJYAVTHGQ-FPUALCIBSA-N 50043077 2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-4-imidazolyl}-1-ethanesulfonamide::CHEMBL128258 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043077&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929288 103974548 CHEMBL128258 ZINC27320762 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068694 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 InChI=1S/C32H41N3O4S/c1-29(2)26-8-12-31(29,32(37,22-26)13-18-34-28(36)21-24-9-16-33-17-10-24)23-40(38,39)35-19-14-30(15-20-35)11-7-25-5-3-4-6-27(25)30/h3-7,9-11,16-17,26,37H,8,12-15,18-23H2,1-2H3,(H,34,36)/t26-,31+,32-/m1/s1 VMHDOEZJJPNJJT-WHODAWOQSA-N 50043071 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-(4-pyridyl)acetamide::CHEMBL422080 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043071&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10099421 103974542 CHEMBL422080 ZINC27322202 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068697 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccncc1)C2 InChI=1S/C30H37N3O4S/c1-27(2)24-8-12-29(27,30(35,19-24)20-32-26(34)23-9-15-31-16-10-23)21-38(36,37)33-17-13-28(14-18-33)11-7-22-5-3-4-6-25(22)28/h3-7,9-11,15-16,24,35H,8,12-14,17-21H2,1-2H3,(H,32,34)/t24-,29+,30+/m1/s1 NNZDLNFSZAVXNA-FRDKBHKLSA-N 50043085 4N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]isonicotinamide::CHEMBL337667 Oxytocin receptor Rattus 180 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043085&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352440 103974556 CHEMBL337667 ZINC27323503 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068699 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(C2)N=O InChI=1S/C23H32N2O3S/c1-21(2)18-8-10-23(21,20(15-18)24-26)16-29(27,28)25-13-11-22(12-14-25)9-7-17-5-3-4-6-19(17)22/h3-6,18,20H,7-16H2,1-2H3/t18-,20?,23-/m1/s1 WGNQZEHJQKXRMV-ZBOFDPRTSA-N 50043097 7,7-dimethyl-1-spiro[1H-indane-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-oxime::CHEMBL337842 Oxytocin receptor Rattus 450 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043097&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929295 103974568 CHEMBL337842 ZINC27321753 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068703 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(C2)N=O InChI=1S/C23H30N2O3S/c1-21(2)18-8-10-23(21,20(15-18)24-26)16-29(27,28)25-13-11-22(12-14-25)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20H,8,10-16H2,1-2H3/t18-,20?,23-/m1/s1 ZTQFAOQTCFNCRU-ZBOFDPRTSA-N 50043084 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-oxime::CHEMBL341470 Oxytocin receptor Rattus 650 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043084&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929291 103974555 CHEMBL341470 ZINC03927260 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068704 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CCC(O)=O)C1=O InChI=1S/C30H40N2O6S/c1-28(2)22-10-12-30(28,24(18-22)32-25(33)17-21(27(32)36)7-8-26(34)35)19-39(37,38)31-15-13-29(14-16-31)11-9-20-5-3-4-6-23(20)29/h3-6,21-22,24H,7-19H2,1-2H3,(H,34,35)/t21?,22-,24+,30-/m1/s1 DBPQXDYXFWSSCU-WKBYALOHSA-N 50043095 3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolyl}propanoic acid::CHEMBL338503 Oxytocin receptor Rattus 42 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043095&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11757440 103974566 CHEMBL338503 ZINC27324821 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068706 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN)C2 InChI=1S/C24H34N2O3S/c1-21(2)19-8-10-23(21,24(27,15-19)16-25)17-30(28,29)26-13-11-22(12-14-26)9-7-18-5-3-4-6-20(18)22/h3-7,9,19,27H,8,10-17,25H2,1-2H3/t19-,23+,24+/m1/s1 DKSALKIFWFBTCZ-YGOYIFOWSA-N 50043089 2-aminomethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl alcohol::CHEMBL128124 Oxytocin receptor Rattus 1300 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043089&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10455392 103974560 CHEMBL128124 ZINC27318037 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068707 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 InChI=1S/C29H42N4O5S/c1-26(2)21-10-12-28(26,29(36,17-21)18-32-25(35)23(30)7-8-24(31)34)19-39(37,38)33-15-13-27(14-16-33)11-9-20-5-3-4-6-22(20)27/h3-6,9,11,21,23,36H,7-8,10,12-19,30H2,1-2H3,(H2,31,34)(H,32,35)/t21-,23+,28+,29+/m1/s1 JFORQSJIEQRPEO-SRYQUFAXSA-N 50043090 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-amino-(2S)-pentanediamide::CHEMBL130848 Oxytocin receptor Rattus 90 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043090&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352372 103974561 CHEMBL130848 ZINC27321622 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068717 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1ccnc1 InChI=1S/C28H38N4O3S/c1-26(2)22-8-10-28(26,24(17-22)30-25(33)18-31-16-13-29-20-31)19-36(34,35)32-14-11-27(12-15-32)9-7-21-5-3-4-6-23(21)27/h3-6,13,16,20,22,24H,7-12,14-15,17-19H2,1-2H3,(H,30,33)/t22-,24+,28-/m1/s1 CCXMZTSJGNBYIC-ZXDNMGRFSA-N 50043100 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-1-imidazolyl)acetamide::CHEMBL128398 Oxytocin receptor Rattus 120 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043100&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11756081 103974571 CHEMBL128398 ZINC27319645 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068721 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](N)C2 InChI=1S/C23H34N2O2S/c1-21(2)18-8-10-23(21,20(24)15-18)16-28(26,27)25-13-11-22(12-14-25)9-7-17-5-3-4-6-19(17)22/h3-6,18,20H,7-16,24H2,1-2H3/t18-,20+,23-/m1/s1 TZHCWDOORMHKCA-QMHWCDLVSA-N 50043111 7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylamine::CHEMBL335170 Oxytocin receptor Rattus 30000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043111&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10250542 103974582 CHEMBL335170 ZINC27321217 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068723 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CS(N)(=O)=O InChI=1S/C26H40N4O5S2/c1-24(2)19-8-10-26(24,22(15-19)29-23(31)21(27)16-36(28,32)33)17-37(34,35)30-13-11-25(12-14-30)9-7-18-5-3-4-6-20(18)25/h3-6,19,21-22H,7-17,27H2,1-2H3,(H,29,31)(H2,28,32,33)/t19-,21?,22+,26-/m1/s1 QMSVWHNHZZVHTH-HMCJUOSXSA-N 50043087 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-3-sulfamoylpropanamide::CHEMBL341507 Oxytocin receptor Rattus 200 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043087&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352165 103974558 CHEMBL341507 ZINC27317496 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068726 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 InChI=1S/C34H49N3O4S/c1-31(2)28-8-12-33(31,34(39,22-28)13-16-35-30(38)21-27-23-36-17-9-25(27)10-18-36)24-42(40,41)37-19-14-32(15-20-37)11-7-26-5-3-4-6-29(26)32/h3-7,11,25,27-28,39H,8-10,12-24H2,1-2H3,(H,35,38)/t27?,28-,33+,34-/m1/s1 XMJCFEKRSSAQAP-LSRUWUBZSA-N 50043108 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-(4-azabicyclo[2.2.2]oct-2-yl)acetamide::CHEMBL132391 Oxytocin receptor Rattus 100 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043108&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10393719 103974579 CHEMBL132391 ZINC27326150 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068727 CC([C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(N)=O InChI=1S/C28H41N3O4S/c1-18(25(30)33)23(29)24(32)22-16-20-9-11-28(22,26(20,2)3)17-36(34,35)31-14-12-27(13-15-31)10-8-19-6-4-5-7-21(19)27/h4-7,18,20,22-23H,8-17,29H2,1-3H3,(H2,30,33)/t18?,20-,22-,23-,28-/m1/s1 ROLGRBIPLHLTHU-ZNFYXGPVSA-N 50043113 3-amino-4-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1R,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-methyl-4-oxobutanamide::CHEMBL128194 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043113&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352150 103974584 CHEMBL128194 ZINC27315572 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068736 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(=O)Nc2nnn[nH]2)C1=O InChI=1S/C30H39N7O5S/c1-28(2)21-8-10-30(28,18-43(41,42)36-13-11-29(12-14-36)9-7-19-5-3-4-6-22(19)29)23(17-21)37-25(39)16-20(26(37)40)15-24(38)31-27-32-34-35-33-27/h3-6,20-21,23H,7-18H2,1-2H3,(H2,31,32,33,34,35,38)/t20?,21-,23+,30-/m1/s1 LYNOJZAFWZEKEI-VKKCPAQBSA-N 50043123 1N-(1H-1,2,3,4-tetraazol-5-yl)-2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolyl}acetamide::CHEMBL405016 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043123&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10326385 103974594 CHEMBL405016 ZINC27318336 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068737 CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C26H40N2O4S2/c1-4-17-33(29,30)27-23-18-21-10-12-26(23,24(21,2)3)19-34(31,32)28-15-13-25(14-16-28)11-9-20-7-5-6-8-22(20)25/h5-8,21,23,27H,4,9-19H2,1-3H3/t21-,23+,26-/m1/s1 QACRDKDGECAJPD-VIICAESSSA-N 50043096 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-propanesulfonamide::CHEMBL129234 Oxytocin receptor Rattus 310 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043096&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9983763 103974567 CHEMBL129234 ZINC27310738 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068738 CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C29H42N2O5S/c1-4-36-26(33)10-9-25(32)30-24-19-22-12-14-29(24,27(22,2)3)20-37(34,35)31-17-15-28(16-18-31)13-11-21-7-5-6-8-23(21)28/h5-8,22,24H,4,9-20H2,1-3H3,(H,30,32)/t22-,24+,29-/m1/s1 JUQIJBWAKSXUMM-HXVQJGFHSA-N 50043124 CHEMBL340016::ethyl 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylcarbamoyl]propanoate Oxytocin receptor Rattus 240 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043124&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10459672 103974595 CHEMBL340016 ZINC27316455 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068743 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1cnnn1 InChI=1S/C26H36N6O3S/c1-24(2)20-8-10-26(24,22(15-20)28-23(33)16-31-18-27-29-30-31)17-36(34,35)32-13-11-25(12-14-32)9-7-19-5-3-4-6-21(19)25/h3-6,18,20,22H,7-17H2,1-2H3,(H,28,33)/t20-,22+,26-/m1/s1 MGXNDBZXSGAHCY-LIXHSBQKSA-N 50043069 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-1,2,3,4-tetraazol-1-yl)acetamide::CHEMBL435613 Oxytocin receptor Rattus 140 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043069&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10324129 103974540 CHEMBL435613 ZINC27318303 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068745 Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-39(3)22-36-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1 UMWOIINMVWIDMB-HYBHZXASSA-N 50043130 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-4-imidazolylmethylcarboxamido)-(2S)-pentanediamide::CHEMBL338921 Oxytocin receptor Rattus 1.7 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043130&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10394512 103974601 CHEMBL338921 ZINC03923125 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068747 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccccc1 InChI=1S/C30H38N2O3S/c1-28(2)24-13-15-30(28,26(20-24)31-27(33)23-9-4-3-5-10-23)21-36(34,35)32-18-16-29(17-19-32)14-12-22-8-6-7-11-25(22)29/h3-11,24,26H,12-21H2,1-2H3,(H,31,33)/t24-,26+,30-/m1/s1 OWCYZMRCKVMNDM-MQRABVPWSA-N 50043051 7,7-dimethyl-2-phenylcarboxamido-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL340772 Oxytocin receptor Rattus 1000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043051&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11755934 103974522 CHEMBL340772 ZINC27317979 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068749 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccc1 InChI=1S/C31H40N2O3S/c1-29(2)25-13-15-31(29,27(21-25)32-28(34)20-23-8-4-3-5-9-23)22-37(35,36)33-18-16-30(17-19-33)14-12-24-10-6-7-11-26(24)30/h3-11,25,27H,12-22H2,1-2H3,(H,32,34)/t25-,27+,31-/m1/s1 SOFJTVINDOUOCN-YHZWXPKMSA-N 50043132 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-phenylacetamide::CHEMBL435815 Oxytocin receptor Rattus 250 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043132&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10369423 103974603 CHEMBL435815 ZINC27312848 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068751 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC1CCCNC1 InChI=1S/C31H47N3O3S/c1-29(2)25-12-14-31(29,27(20-25)33-28(35)10-9-23-6-5-17-32-21-23)22-38(36,37)34-18-15-30(16-19-34)13-11-24-7-3-4-8-26(24)30/h3-4,7-8,23,25,27,32H,5-6,9-22H2,1-2H3,(H,33,35)/t23?,25-,27+,31-/m1/s1 CVHZNGFFODOVCS-SQELAJNSSA-N 50043131 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-hexahydro-3-pyridinylpropanamide::CHEMBL339155 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043131&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9984805 103974602 CHEMBL339155 ZINC27318047 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068754 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C=Cc1cnc[nH]1 InChI=1S/C29H38N4O3S/c1-27(2)22-10-12-29(27,25(17-22)32-26(34)8-7-23-18-30-20-31-23)19-37(35,36)33-15-13-28(14-16-33)11-9-21-5-3-4-6-24(21)28/h3-8,18,20,22,25H,9-17,19H2,1-2H3,(H,30,31)(H,32,34)/t22-,25+,29-/m1/s1 FIYZNVKXTOGORQ-NUJSINJASA-N 50043110 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-(1H-4-imidazolyl)-(E)-2-propenamide::CHEMBL131235 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043110&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10052468 103974581 CHEMBL131235 ZINC27323643 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068757 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18-,20-,23-/m1/s1 WHOYCZAZHQFDDJ-KKLQWCBXSA-N 50043127 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl alcohol::CHEMBL334953 Oxytocin receptor Rattus 470 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043127&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10046632 103974598 CHEMBL334953 ZINC03800019 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068758 CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C30H45N3O4S/c1-21(2)17-25(31)26(34)32-19-30(35)18-23-10-12-29(30,27(23,3)4)20-38(36,37)33-15-13-28(14-16-33)11-9-22-7-5-6-8-24(22)28/h5-9,11,21,23,25,35H,10,12-20,31H2,1-4H3,(H,32,34)/t23-,25+,29+,30+/m1/s1 ZJESXGUEVDCNLC-YXUAIILISA-N 50043092 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-amino-4-methyl-(2S)-pentanamide::CHEMBL132389 Oxytocin receptor Rattus 42 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043092&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352373 103974563 CHEMBL132389 ZINC27321629 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068759 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccc(=O)[nH]c1)C2 InChI=1S/C31H39N3O5S/c1-28(2)24-10-12-30(28,31(37,19-24)13-16-32-27(36)23-7-8-26(35)33-20-23)21-40(38,39)34-17-14-29(15-18-34)11-9-22-5-3-4-6-25(22)29/h3-9,11,20,24,37H,10,12-19,21H2,1-2H3,(H,32,36)(H,33,35)/t24-,30+,31-/m1/s1 BLAVMBRSJZQEHW-XGJRVREISA-N 50043061 5N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-oxo-2,3-dihydro-5-pyridinecarboxamide::CHEMBL130993 Oxytocin receptor Rattus 49 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043061&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929285 103974532 CHEMBL130993 ZINC27323568 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068764 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2 InChI=1S/C36H50N2O4S/c1-32(2)29-8-10-35(32,24-43(41,42)38-13-11-34(12-14-38)9-7-28-5-3-4-6-30(28)34)36(40,21-29)23-37-31(39)22-33-18-25-15-26(19-33)17-27(16-25)20-33/h3-7,9,25-27,29,40H,8,10-24H2,1-2H3,(H,37,39)/t25?,26?,27?,29-,33?,35+,36+/m1/s1 FBCFBFJNYGQCNM-LPNNTANXSA-N 50043133 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1-adamantyl)acetamide::CHEMBL339464 Oxytocin receptor Rattus 480 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043133&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352473 103974604 CHEMBL339464 ZINC27318968 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068777 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O InChI=1S/C29H41N3O6S2/c1-27(2)21-9-12-29(27,24(18-21)32-25(33)23(30-26(32)34)10-17-39(3,35)36)19-40(37,38)31-15-13-28(14-16-31)11-8-20-6-4-5-7-22(20)28/h4-7,21,24,33H,8-19H2,1-3H3,(H,30,34)/t21-,24+,29-/m1/s1 SMTBTACKOYMPOU-ATJNGWRESA-N 50043080 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-(2-methylsulfonylethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL130891 Oxytocin receptor Rattus 2.6 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043080&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929290 103974551 CHEMBL130891 ZINC27320713 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068783 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCC(N)=O InChI=1S/C28H42N4O4S/c1-26(2)20-10-12-28(26,23(17-20)31-25(34)22(29)7-8-24(30)33)18-37(35,36)32-15-13-27(14-16-32)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18,29H2,1-2H3,(H2,30,33)(H,31,34)/t20-,22-,23+,28-/m1/s1 HUBWQAUQKKUZCD-NONBHWBCSA-N 50043146 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-(2R)-pentanediamide::CHEMBL130742 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043146&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10256467 103974617 CHEMBL130742 ZINC27323831 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068788 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@](O)(CN1CCCC1=O)C2 InChI=1S/C28H40N2O4S/c1-25(2)22-10-12-27(25,28(32,18-22)19-29-15-5-8-24(29)31)20-35(33,34)30-16-13-26(14-17-30)11-9-21-6-3-4-7-23(21)26/h3-4,6-7,22,32H,5,8-20H2,1-2H3/t22-,27+,28+/m1/s1 QKFGNTYDOQGXHL-WWEDSPNTSA-N 50043149 1-[2-hydroxy-7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]tetrahydro-1H-2-pyrrolone::CHEMBL339357 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043149&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352353 103974620 CHEMBL339357 ZINC27319185 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068792 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cnc[nH]1 InChI=1S/C29H40N4O3S/c1-27(2)22-10-12-29(27,25(17-22)32-26(34)8-7-23-18-30-20-31-23)19-37(35,36)33-15-13-28(14-16-33)11-9-21-5-3-4-6-24(21)28/h3-6,18,20,22,25H,7-17,19H2,1-2H3,(H,30,31)(H,32,34)/t22-,25+,29-/m1/s1 LHYVGMICRQIVJI-NUJSINJASA-N 50043068 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-(1H-4-imidazolyl)propanamide::CHEMBL128422 Oxytocin receptor Rattus 94 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043068&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10256281 103974539 CHEMBL128422 ZINC27320403 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068805 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCCO InChI=1S/C28H43N3O4S/c1-26(2)21-10-12-28(26,24(18-21)30-25(33)23(29)8-5-17-32)19-36(34,35)31-15-13-27(14-16-31)11-9-20-6-3-4-7-22(20)27/h3-4,6-7,21,23-24,32H,5,8-19,29H2,1-2H3,(H,30,33)/t21-,23?,24+,28-/m1/s1 WCVBVPMCCSTCON-XFSSTXOUSA-N 50043154 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-5-hydroxypentanamide::CHEMBL132165 Oxytocin receptor Rattus 80 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043154&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352114 103974625 CHEMBL132165 ZINC27320932 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068807 Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 InChI=1S/C29H40N4O3S/c1-27(2)22-9-11-29(27,25(16-22)31-26(34)17-23-18-32(3)20-30-23)19-37(35,36)33-14-12-28(13-15-33)10-8-21-6-4-5-7-24(21)28/h4-7,18,20,22,25H,8-17,19H2,1-3H3,(H,31,34)/t22-,25+,29-/m1/s1 PFIPCRNFBIQXNW-NUJSINJASA-N 50043163 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-4-imidazolyl)acetamide::CHEMBL132496 Oxytocin receptor Rattus 65 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043163&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10098332 103974634 CHEMBL132496 ZINC27323564 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068808 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 InChI=1S/C32H45N3O4S/c1-29(2)25-8-12-31(29,32(37,19-25)21-33-28(36)26-20-34-15-9-23(26)10-16-34)22-40(38,39)35-17-13-30(14-18-35)11-7-24-5-3-4-6-27(24)30/h3-7,11,23,25-26,37H,8-10,12-22H2,1-2H3,(H,33,36)/t25-,26?,31+,32+/m1/s1 IXUVYBXOOQUFFT-PPYYGLFBSA-N 50043136 2N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-4-azabicyclo[2.2.2]octane-2-carboxamide::CHEMBL338118 Oxytocin receptor Rattus 57 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043136&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352392 103974607 CHEMBL338118 ZINC27317324 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068813 CC(=O)N[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C25H36N2O3S/c1-18(28)26-22-16-20-9-11-25(22,23(20,2)3)17-31(29,30)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-7,20,22H,8-17H2,1-3H3,(H,26,28)/t20-,22-,25-/m1/s1 ZLUILTZQJPVJRD-QFZWGZQFSA-N 50043142 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl]acetamide::CHEMBL340320 Oxytocin receptor Rattus 1200 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043142&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10026508 103974613 CHEMBL340320 ZINC27317948 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068819 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1cccnc1)C2 InChI=1S/C31H39N3O4S/c1-28(2)25-10-12-30(28,31(36,20-25)13-17-33-27(35)24-7-5-16-32-21-24)22-39(37,38)34-18-14-29(15-19-34)11-9-23-6-3-4-8-26(23)29/h3-9,11,16,21,25,36H,10,12-15,17-20,22H2,1-2H3,(H,33,35)/t25-,30+,31-/m1/s1 UXAUNHSXCRAYSY-SDDUWZMOSA-N 50043169 3N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}nicotinamide::CHEMBL340964 Oxytocin receptor Rattus 97 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043169&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10392781 103974640 CHEMBL340964 ZINC27318875 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068821 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(=O)Nc2nnn[nH]2)[nH]c1=O InChI=1S/C29H38N8O5S/c1-27(2)19-8-10-29(27,17-43(41,42)36-13-11-28(12-14-36)9-7-18-5-3-4-6-20(18)28)22(15-19)37-24(39)21(30-26(37)40)16-23(38)31-25-32-34-35-33-25/h3-6,19,22,39H,7-17H2,1-2H3,(H,30,40)(H2,31,32,33,34,35,38)/t19-,22+,29-/m1/s1 QHJSLWWLCHQTEF-GUDDLILSSA-N 50043134 1N-(1H-1,2,3,4-tetraazol-5-yl)-2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-4-imidazolyl}acetamide::CHEMBL132157 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043134&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929300 103974605 CHEMBL132157 ZINC27322254 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068822 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCC(O)=O)CCc1cnc[nH]1 InChI=1S/C32H45N5O5S/c1-30(2)24-8-12-32(30,27(19-24)35-29(40)36(16-10-28(38)39)15-9-25-20-33-22-34-25)21-43(41,42)37-17-13-31(14-18-37)11-7-23-5-3-4-6-26(23)31/h3-6,20,22,24,27H,7-19,21H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t24-,27+,32-/m1/s1 FXKGSLOULRBCHE-YFCBNTRVSA-N 50043161 2-(1H-imidazol-4-yl)-ethyl]-ureido}-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL435409 Oxytocin receptor Rattus 23 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043161&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10393977 103974632 CHEMBL435409 ZINC27314279 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068823 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC(CC(N)=O)NC(=O)Cc1cnc[nH]1 InChI=1S/C33H46N6O5S/c1-31(2)23-8-10-33(31,20-45(43,44)39-13-11-32(12-14-39)9-7-22-5-3-4-6-26(22)32)27(15-23)38-30(42)17-24(16-28(34)40)37-29(41)18-25-19-35-21-36-25/h3-6,19,21,23-24,27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,24?,27+,33-/m1/s1 YCDLHRZCSIDCIF-UVILWRARSA-N 50043164 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-(1H-4-imidazolylmethylcarboxamido)pentanediamide::CHEMBL340676 Oxytocin receptor Rattus 50 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043164&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10258572 103974635 CHEMBL340676 ZINC27319991 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068824 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccncc1)C2 InChI=1S/C31H39N3O4S/c1-28(2)25-8-12-30(28,31(36,20-25)21-33-27(35)19-23-9-15-32-16-10-23)22-39(37,38)34-17-13-29(14-18-34)11-7-24-5-3-4-6-26(24)29/h3-7,9-11,15-16,25,36H,8,12-14,17-22H2,1-2H3,(H,33,35)/t25-,30+,31+/m1/s1 NGBDRQUIPVYXEX-IUNZSJPTSA-N 50043165 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(4-pyridyl)acetamide::CHEMBL335182 Oxytocin receptor Rattus 35 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043165&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352412 103974636 CHEMBL335182 ZINC27328959 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068826 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24-,28-/m1/s1 VQAVBHLGXVZOKM-ATEJDMMGSA-N 50043152 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL128879 Oxytocin receptor Rattus 830 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043152&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10413998 103974623 CHEMBL128879 ZINC01482734 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068830 CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C31H46N2O4S/c1-6-27(2,3)26(34)32-18-15-31(35)21-24-12-14-30(31,28(24,4)5)22-38(36,37)33-19-16-29(17-20-33)13-11-23-9-7-8-10-25(23)29/h7-11,13,24,35H,6,12,14-22H2,1-5H3,(H,32,34)/t24-,30+,31-/m1/s1 XESDRRBNSZCYRY-XGJRVREISA-N 50043150 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2,2-dimethylbutanamide::CHEMBL338499 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043150&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10347314 103974621 CHEMBL338499 ZINC27326821 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068833 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2nnn[nH]2)c1=O InChI=1S/C28H37N7O4S/c1-26(2)20-8-10-28(26,22(15-20)35-24(36)17-33(25(35)37)16-23-29-31-32-30-23)18-40(38,39)34-13-11-27(12-14-34)9-7-19-5-3-4-6-21(19)27/h3-6,17,20,22,36H,7-16,18H2,1-2H3,(H,29,30,31,32)/t20-,22+,28-/m1/s1 JNZOJEJBWWZOSW-WOIMOHSLSA-N 50043172 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-(1H-1,2,3,4-tetraazol-5-ylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL449399 Oxytocin receptor Rattus 49 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043172&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929303 103974643 CHEMBL449399 ZINC27318836 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068834 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCN InChI=1S/C26H39N3O3S/c1-24(2)20-8-11-26(24,22(17-20)28-23(30)9-14-27)18-33(31,32)29-15-12-25(13-16-29)10-7-19-5-3-4-6-21(19)25/h3-6,20,22H,7-18,27H2,1-2H3,(H,28,30)/t20-,22+,26-/m1/s1 ACRJFLNATMBKDE-LIXHSBQKSA-N 50043168 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-aminopropanamide::CHEMBL128328 Oxytocin receptor Rattus 140 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043168&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10435004 103974639 CHEMBL128328 ZINC27317943 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068838 CS(=O)CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C28H43N3O4S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-36(3)33)19-37(34,35)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23?,24+,28-,36?/m1/s1 JMOSWESHOOTQIP-KLFGHEKNSA-N 50043066 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-4-methylsulfinylbutanamide::CHEMBL340915 Oxytocin receptor Rattus 54 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043066&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352491 103974537 CHEMBL340915 ZINC27316097 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068840 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCS(N)(=O)=O InChI=1S/C27H42N4O5S2/c1-25(2)20-8-11-27(25,23(17-20)30-24(32)22(28)9-16-37(29,33)34)18-38(35,36)31-14-12-26(13-15-31)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3,(H,30,32)(H2,29,33,34)/t20-,22?,23+,27-/m1/s1 ANDSYCDCWZVJBU-XPGHFMRJSA-N 50043170 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-4-sulfamoylbutanamide::CHEMBL340639 Oxytocin receptor Rattus 38 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043170&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352123 103974641 CHEMBL340639 ZINC27317961 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068843 CN(C)[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C31H45N5O3S/c1-29(2)23-10-12-31(29,27(17-23)34-28(37)26(35(3)4)18-24-19-32-21-33-24)20-40(38,39)36-15-13-30(14-16-36)11-9-22-7-5-6-8-25(22)30/h5-8,19,21,23,26-27H,9-18,20H2,1-4H3,(H,32,33)(H,34,37)/t23-,26-,27+,31-/m1/s1 OWIZAOWCVQVVKC-GNYDIZNJSA-N 50043119 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-dimethylamino-3-(1H-4-imidazolyl)-(2R)-propanamide::CHEMBL419973 Oxytocin receptor Rattus 49 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043119&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352442 103974590 CHEMBL419973 ZINC27318259 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068846 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC(O)=O InChI=1S/C27H38N2O5S/c1-25(2)20-10-12-27(25,22(17-20)28-23(30)7-8-24(31)32)18-35(33,34)29-15-13-26(14-16-29)11-9-19-5-3-4-6-21(19)26/h3-6,20,22H,7-18H2,1-2H3,(H,28,30)(H,31,32)/t20-,22+,27-/m1/s1 MZGYVFASNBATET-SBQVMTCPSA-N 50043140 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylcarbamoyl]propanoic acid::CHEMBL336742 Oxytocin receptor Rattus 410 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043140&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10323799 103974611 CHEMBL336742 ZINC27323112 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068850 COC(=O)[N+]12CCC(CC1)C(C2)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1 BFZIIEHECQVPQB-CXNPKWBMSA-O 50043106 CHEMBL335886::methyl 3-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate Oxytocin receptor Rattus 27 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043106&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352363 103974577 CHEMBL335886 ZINC27330104 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068852 CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C27H38N2O4S/c1-20(30)28-15-12-27(31)18-22-9-11-26(27,24(22,2)3)19-34(32,33)29-16-13-25(14-17-29)10-8-21-6-4-5-7-23(21)25/h4-8,10,22,31H,9,11-19H2,1-3H3,(H,28,30)/t22-,26+,27-/m1/s1 OSXWQCSWNZWUDG-VYCLJVNGSA-N 50043184 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}acetamide::CHEMBL435009 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043184&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9982888 103974655 CHEMBL435009 ZINC27321811 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068861 Cn1cc(O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1=O InChI=1S/C27H37N3O4S/c1-25(2)20-9-11-27(25,22(16-20)30-23(31)17-28(3)24(30)32)18-35(33,34)29-14-12-26(13-15-29)10-8-19-6-4-5-7-21(19)26/h4-7,17,20,22,31H,8-16,18H2,1-3H3/t20-,22+,27-/m1/s1 WORKBPRNYCSJRI-SBQVMTCPSA-N 50043183 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-methyltetrahydro-1H-2,4-imidazoledione::CHEMBL339132 Oxytocin receptor Rattus 14 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043183&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929306 103974654 CHEMBL339132 ZINC27327256 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068863 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CC(O)Cn2c1=O InChI=1S/C29H39N3O5S/c1-27(2)20-8-10-29(27,24(15-20)32-25(34)23-16-21(33)17-31(23)26(32)35)18-38(36,37)30-13-11-28(12-14-30)9-7-19-5-3-4-6-22(19)28/h3-6,20-21,24,33-34H,7-18H2,1-2H3/t20-,21?,24+,29-/m1/s1 PKTZHJHKYICCKE-MSPXBGMWSA-N 50043103 2-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-6-hydroxyperhydropyrrolo[1,2-c]imidazole-1,3-dione::CHEMBL128383 Oxytocin receptor Rattus 20 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043103&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929296 103974574 CHEMBL128383 ZINC27318391 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068865 CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C29H45N3O3S/c1-20(2)17-24(30)26(33)31-25-18-22-10-12-29(25,27(22,3)4)19-36(34,35)32-15-13-28(14-16-32)11-9-21-7-5-6-8-23(21)28/h5-8,20,22,24-25H,9-19,30H2,1-4H3,(H,31,33)/t22-,24-,25+,29-/m1/s1 RYNJJMSPSSJBGF-ZTFZWQTPSA-N 50043177 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-4-methyl-(2R)-pentanamide::CHEMBL339366 Oxytocin receptor Rattus 580 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043177&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352428 103974648 CHEMBL339366 ZINC27317260 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068866 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CNC(=O)N1 InChI=1S/C27H38N4O4S/c1-25(2)19-8-10-27(25,22(15-19)30-23(32)21-16-28-24(33)29-21)17-36(34,35)31-13-11-26(12-14-31)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17H2,1-2H3,(H,30,32)(H2,28,29,33)/t19-,21?,22+,27-/m1/s1 FSLYAGAKVJQCBD-KZVAKWDOSA-N 50043126 4N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-oxotetrahydro-1H-4-imidazolecarboxamide::CHEMBL335876 Oxytocin receptor Rattus 92 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043126&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10097994 103974597 CHEMBL335876 ZINC27324837 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068867 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cnc[nH]1)C2 InChI=1S/C29H38N4O4S/c1-26(2)22-8-10-28(26,29(35,16-22)18-31-25(34)15-23-17-30-20-32-23)19-38(36,37)33-13-11-27(12-14-33)9-7-21-5-3-4-6-24(21)27/h3-7,9,17,20,22,35H,8,10-16,18-19H2,1-2H3,(H,30,32)(H,31,34)/t22-,28+,29+/m1/s1 UWYKUTZFKXQGRL-YDTRGFDASA-N 50043059 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1H-4-imidazolyl)acetamide::CHEMBL128417 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043059&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352431 103974530 CHEMBL128417 ZINC27318453 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068868 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccccn1)C2 InChI=1S/C31H39N3O4S/c1-28(2)24-11-13-30(28,31(36,20-24)21-33-27(35)19-25-8-5-6-16-32-25)22-39(37,38)34-17-14-29(15-18-34)12-10-23-7-3-4-9-26(23)29/h3-10,12,16,24,36H,11,13-15,17-22H2,1-2H3,(H,33,35)/t24-,30+,31+/m1/s1 NAYATJDRTUZUHI-GTTXMTDLSA-N 50043178 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(2-pyridyl)acetamide::CHEMBL128423 Oxytocin receptor Rattus 81 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043178&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352400 103974649 CHEMBL128423 ZINC27319136 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068870 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(Cn1c(O)c[nH]c1=O)C2 InChI=1S/C27H35N3O5S/c1-24(2)20-8-10-26(24,27(33,15-20)17-30-22(31)16-28-23(30)32)18-36(34,35)29-13-11-25(12-14-29)9-7-19-5-3-4-6-21(19)25/h3-7,9,16,20,31,33H,8,10-15,17-18H2,1-2H3,(H,28,32)/t20-,26+,27+/m1/s1 NNEPFNGAVPTGHZ-PHXCCWLDSA-N 50043173 3-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]tetrahydro-1H-2,4-imidazoledione::CHEMBL339433 Oxytocin receptor Rattus 50 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043173&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929304 103974644 CHEMBL339433 ZINC27317248 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068872 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC#N)c1=O InChI=1S/C28H36N4O4S/c1-26(2)21-8-10-28(26,23(17-21)32-24(33)18-30(16-13-29)25(32)34)19-37(35,36)31-14-11-27(12-15-31)9-7-20-5-3-4-6-22(20)27/h3-6,18,21,23,33H,7-12,14-17,19H2,1-2H3/t21-,23+,28-/m1/s1 IYBWDQSKMLDMHR-ZLIGTFTASA-N 50043174 2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,4-dioxotetrahydro-1H-1-imidazolyl}acetonitrile::CHEMBL338984 Oxytocin receptor Rattus 4.2 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043174&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929305 103974645 CHEMBL338984 ZINC27313385 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068874 Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C29H40N4O3S/c1-27(2)22-9-11-29(27,25(16-22)31-26(34)17-23-18-30-20-32(23)3)19-37(35,36)33-14-12-28(13-15-33)10-8-21-6-4-5-7-24(21)28/h4-7,18,20,22,25H,8-17,19H2,1-3H3,(H,31,34)/t22-,25+,29-/m1/s1 VQHADWSLWDMKIU-NUJSINJASA-N 50043054 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-5-imidazolyl)acetamide::CHEMBL341338 Oxytocin receptor Rattus 48 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043054&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10369550 103974525 CHEMBL341338 ZINC27315284 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068875 COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C27H39N3O5S/c1-25(2)20-9-11-27(25,22(16-20)29-24(32)28-17-23(31)35-3)18-36(33,34)30-14-12-26(13-15-30)10-8-19-6-4-5-7-21(19)26/h4-7,20,22H,8-18H2,1-3H3,(H2,28,29,32)/t20-,22+,27-/m1/s1 LWDKASHNXAPSEH-SBQVMTCPSA-N 50043190 2-N-methoxyacetylureido-7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL423156 Oxytocin receptor Rattus 160 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043190&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10006805 103974661 CHEMBL423156 ZINC27322739 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068876 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cccnc1 InChI=1S/C30H39N3O3S/c1-28(2)24-10-12-30(28,26(19-24)32-27(34)18-22-6-5-15-31-20-22)21-37(35,36)33-16-13-29(14-17-33)11-9-23-7-3-4-8-25(23)29/h3-8,15,20,24,26H,9-14,16-19,21H2,1-2H3,(H,32,34)/t24-,26+,30-/m1/s1 IFJARNJJSHNILC-MQRABVPWSA-N 50043101 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(3-pyridyl)acetamide::CHEMBL128680 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043101&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10098227 103974572 CHEMBL128680 ZINC27314286 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068878 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cccnc2)[nH]c1=O InChI=1S/C32H40N4O4S/c1-30(2)24-10-12-32(30,27(19-24)36-28(37)26(34-29(36)38)18-22-6-5-15-33-20-22)21-41(39,40)35-16-13-31(14-17-35)11-9-23-7-3-4-8-25(23)31/h3-8,15,20,24,27,37H,9-14,16-19,21H2,1-2H3,(H,34,38)/t24-,27+,32-/m1/s1 KDRGOAGYOKMEPO-YFCBNTRVSA-N 50043088 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-(3-pyridylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL130476 Oxytocin receptor Rattus 36 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043088&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929293 103974559 CHEMBL130476 ZINC27326493 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068881 CC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cn(C)cn1 InChI=1S/C30H42N4O3S/c1-21(25-18-33(4)20-31-25)27(35)32-26-17-23-10-12-30(26,28(23,2)3)19-38(36,37)34-15-13-29(14-16-34)11-9-22-7-5-6-8-24(22)29/h5-8,18,20-21,23,26H,9-17,19H2,1-4H3,(H,32,35)/t21?,23-,26+,30-/m1/s1 HGLWHMDQFNHNJJ-UJIWUHLHSA-N 50043176 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-4-imidazolyl)propanamide::CHEMBL129971 Oxytocin receptor Rattus 60 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043176&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10324965 103974647 CHEMBL129971 ZINC27311182 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068883 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CN2CCC1CC2 InChI=1S/C31H45N3O3S/c1-29(2)24-8-12-31(29,27(19-24)32-28(35)25-20-33-15-9-22(25)10-16-33)21-38(36,37)34-17-13-30(14-18-34)11-7-23-5-3-4-6-26(23)30/h3-6,22,24-25,27H,7-21H2,1-2H3,(H,32,35)/t24-,25?,27+,31-/m1/s1 YRLWZMGUEMTKLT-HMGZHWBNSA-N 50043191 2N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-4-azabicyclo[2.2.2]octane-2-carboxamide::CHEMBL335944 Oxytocin receptor Rattus 29 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043191&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10459923 103974662 CHEMBL335944 ZINC27318980 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068887 CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1 InChI=1S/C30H42N4O3S/c1-4-23(25-18-31-20-32-25)27(35)33-26-17-22-10-12-30(26,28(22,2)3)19-38(36,37)34-15-13-29(14-16-34)11-9-21-7-5-6-8-24(21)29/h5-8,18,20,22-23,26H,4,9-17,19H2,1-3H3,(H,31,32)(H,33,35)/t22-,23?,26+,30-/m1/s1 FTEHUKIZKTWEGZ-CFUOFIDMSA-N 50043129 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)butanamide::CHEMBL131581 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043129&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10098755 103974600 CHEMBL131581 ZINC27322675 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068890 CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C32H51N3O5S2/c1-6-34(7-2)27(14-21-41(5,37)38)29(36)33-28-22-25-13-16-32(28,30(25,3)4)23-42(39,40)35-19-17-31(18-20-35)15-12-24-10-8-9-11-26(24)31/h8-11,25,27-28H,6-7,12-23H2,1-5H3,(H,33,36)/t25-,27?,28+,32-/m1/s1 RJVJCZBVIWJDJU-FGALSUIOSA-N 50043063 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-diethylamino-4-methylsulfonylbutanamide::CHEMBL338951 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043063&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352481 103974534 CHEMBL338951 ZINC27322360 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068899 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)Cc1cnc[nH]1 InChI=1S/C29H41N5O3S/c1-27(2)21-8-10-29(27,25(15-21)33-26(35)24(30)16-22-17-31-19-32-22)18-38(36,37)34-13-11-28(12-14-34)9-7-20-5-3-4-6-23(20)28/h3-6,17,19,21,24-25H,7-16,18,30H2,1-2H3,(H,31,32)(H,33,35)/t21-,24-,25+,29-/m1/s1 UQKPGAVIKWODHF-XOSJJEKJSA-N 50043064 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-3-(1H-4-imidazolyl)-(2R)-propanamide::CHEMBL341311 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043064&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352443 103974535 CHEMBL341311 ZINC27313820 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068900 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(N)=O InChI=1S/C24H35N3O3S/c1-22(2)18-8-10-24(22,20(15-18)26-21(25)28)16-31(29,30)27-13-11-23(12-14-27)9-7-17-5-3-4-6-19(17)23/h3-6,18,20H,7-16H2,1-2H3,(H3,25,26,28)/t18-,20+,24-/m1/s1 SCVJPKXQYIMBID-LJFZDNNRSA-N 50043196 2-ureido-7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL340150 Oxytocin receptor Rattus 460 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043196&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10321314 103974667 CHEMBL340150 ZINC27314301 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068908 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CC[N+]([O-])=O InChI=1S/C27H40N4O5S/c1-25(2)20-8-11-27(25,23(17-20)29-24(32)22(28)9-14-31(33)34)18-37(35,36)30-15-12-26(13-16-30)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3,(H,29,32)/t20-,22?,23+,27-/m1/s1 OPYPHGRJQHBHFM-XPGHFMRJSA-N 50043189 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-4-nitrobutanamide::CHEMBL337888 Oxytocin receptor Rattus 330 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043189&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10392298 103974660 CHEMBL337888 ZINC27325790 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068909 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 InChI=1S/C35H50N2O3S/c1-32(2)28-8-10-35(32,30(18-28)36-31(38)22-33-19-24-15-25(20-33)17-26(16-24)21-33)23-41(39,40)37-13-11-34(12-14-37)9-7-27-5-3-4-6-29(27)34/h3-6,24-26,28,30H,7-23H2,1-2H3,(H,36,38)/t24-,25+,26-,28-,30+,33-,35-/m1/s1 OVIRLFYMFKVGMU-NWJVZSKRSA-N 50043195 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-adamantyl)acetamide::CHEMBL336362 Oxytocin receptor Rattus 12000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043195&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10031108 103974666 CHEMBL336362 ZINC27322804 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068912 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2 InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18-,20+,23-/m1/s1 WHOYCZAZHQFDDJ-QMHWCDLVSA-N 50043188 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl alcohol::CHEMBL128497 Oxytocin receptor Rattus 2200 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043188&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10386343 103974659 CHEMBL128497 ZINC00599628 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068916 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccncc1 InChI=1S/C30H39N3O3S/c1-28(2)24-8-12-30(28,26(20-24)32-27(34)19-22-9-15-31-16-10-22)21-37(35,36)33-17-13-29(14-18-33)11-7-23-5-3-4-6-25(23)29/h3-6,9-10,15-16,24,26H,7-8,11-14,17-21H2,1-2H3,(H,32,34)/t24-,26+,30-/m1/s1 DMLVYVRRSAAXED-MQRABVPWSA-N 50043104 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(4-pyridyl)acetamide::CHEMBL131269 Oxytocin receptor Rattus 120 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043104&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10436744 103974575 CHEMBL131269 ZINC27328312 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068921 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccn1)C2 InChI=1S/C31H39N3O4S/c1-28(2)24-11-13-30(28,31(36,21-24)14-18-33-27(35)26-9-5-6-17-32-26)22-39(37,38)34-19-15-29(16-20-34)12-10-23-7-3-4-8-25(23)29/h3-10,12,17,24,36H,11,13-16,18-22H2,1-2H3,(H,33,35)/t24-,30+,31-/m1/s1 YGLPGRQCTMUUOY-XGJRVREISA-N 50043122 2N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-pyridinecarboxamide::CHEMBL338636 Oxytocin receptor Rattus 120 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043122&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10415138 103974593 CHEMBL338636 ZINC27318880 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068927 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCC#N InChI=1S/C28H40N4O3S/c1-26(2)21-10-12-28(26,24(18-21)31-25(33)23(30)8-5-15-29)19-36(34,35)32-16-13-27(14-17-32)11-9-20-6-3-4-7-22(20)27/h3-4,6-7,21,23-24H,5,8-14,16-19,30H2,1-2H3,(H,31,33)/t21-,23?,24+,28-/m1/s1 WNJBAMXXDDUSRG-XFSSTXOUSA-N 50043159 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-4-cyanobutanamide::CHEMBL339124 Oxytocin receptor Rattus 46 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043159&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352124 103974630 CHEMBL339124 ZINC27317973 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068929 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1csc(N)n1 InChI=1S/C28H38N4O3S2/c1-26(2)20-8-10-28(26,23(15-20)31-24(33)16-21-17-36-25(29)30-21)18-37(34,35)32-13-11-27(12-14-32)9-7-19-5-3-4-6-22(19)27/h3-6,17,20,23H,7-16,18H2,1-2H3,(H2,29,30)(H,31,33)/t20-,23+,28-/m1/s1 IVMSSIKLOGXKSF-FPUALCIBSA-N 50043057 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(2-amino-1,3-thiazol-4-yl)acetamide::CHEMBL130803 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043057&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10053091 103974528 CHEMBL130803 ZINC27322366 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068930 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(O)=O)c1=O InChI=1S/C28H37N3O6S/c1-26(2)20-8-10-28(26,22(15-20)31-23(32)16-29(25(31)35)17-24(33)34)18-38(36,37)30-13-11-27(12-14-30)9-7-19-5-3-4-6-21(19)27/h3-6,16,20,22,32H,7-15,17-18H2,1-2H3,(H,33,34)/t20-,22+,28-/m1/s1 SRCOCRRMKMAWME-WOIMOHSLSA-N 50043055 2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,4-dioxotetrahydro-1H-1-imidazolyl}acetic acid::CHEMBL128163 Oxytocin receptor Rattus 48 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043055&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929284 103974526 CHEMBL128163 ZINC27313388 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068931 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,23,35H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,23+,29-/m1/s1 ZKEPJXYQTOIMJP-YOZPAVSOSA-N 50043114 3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-4-imidazolyl}propanamide::CHEMBL433662 Oxytocin receptor Rattus 3.2 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043114&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929298 103974585 CHEMBL433662 ZINC27319130 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068934 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1)C2 InChI=1S/C34H47N5O7S2/c1-31(2)25-9-12-33(31,22-48(45,46)39-15-13-32(14-16-39)11-8-24-6-4-5-7-27(24)32)34(42,19-25)21-36-30(41)28(10-17-47(3,43)44)38-29(40)18-26-20-35-23-37-26/h4-8,11,20,23,25,28,42H,9-10,12-19,21-22H2,1-3H3,(H,35,37)(H,36,41)(H,38,40)/t25-,28?,33+,34+/m1/s1 SVYBGAZMDDWRJQ-FZFRTIMQSA-N 50043143 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1H-4-imidazolylmethylcarboxamido)-4-methylsulfonylbutanamide::CHEMBL436189 Oxytocin receptor Rattus 7.6 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043143&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352455 103974614 CHEMBL436189 ZINC27317444 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068938 CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C28H43N3O3S/c1-19(2)24(29)25(32)30-23-17-21-10-12-28(23,26(21,3)4)18-35(33,34)31-15-13-27(14-16-31)11-9-20-7-5-6-8-22(20)27/h5-8,19,21,23-24H,9-18,29H2,1-4H3,(H,30,32)/t21-,23+,24-,28-/m1/s1 SVKPBYXXDKQCLJ-ZYPUAGOQSA-N 50043058 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-3-methyl-(2R)-butanamide::CHEMBL131168 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043058&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352425 103974529 CHEMBL131168 ZINC27322491 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068945 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18-,23-/m1/s1 AAIYKQCKJSUOEL-WZONZLPQSA-N 50043135 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one::CHEMBL420144 Oxytocin receptor Rattus 1800 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043135&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10069537 103974606 CHEMBL420144 ZINC13728244 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068946 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1[nH]cnc1Br InChI=1S/C28H37BrN4O3S/c1-26(2)20-8-10-28(26,23(15-20)32-24(34)16-22-25(29)31-18-30-22)17-37(35,36)33-13-11-27(12-14-33)9-7-19-5-3-4-6-21(19)27/h3-6,18,20,23H,7-17H2,1-2H3,(H,30,31)(H,32,34)/t20-,23+,28-/m1/s1 UFPGSTHWQHISPR-FPUALCIBSA-N 50043187 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(5-bromo-1H-4-imidazolyl)acetamide::CHEMBL336992 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043187&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9985844 103974658 CHEMBL336992 ZINC27325809 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068948 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(=O)Nc2ncc[nH]2)c1=O InChI=1S/C31H40N6O5S/c1-29(2)22-8-10-31(29,20-43(41,42)36-15-11-30(12-16-36)9-7-21-5-3-4-6-23(21)30)24(17-22)37-26(39)19-35(28(37)40)18-25(38)34-27-32-13-14-33-27/h3-6,13-14,19,22,24,39H,7-12,15-18,20H2,1-2H3,(H2,32,33,34,38)/t22-,24+,31-/m1/s1 JCCKCBILYUGQDO-VGNCIJBISA-N 50043086 1N-(1H-2-imidazolyl)-2-{3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,4-dioxotetrahydro-1H-1-imidazolyl}acetamide::CHEMBL339768 Oxytocin receptor Rattus 5.9 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043086&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929292 103974557 CHEMBL339768 ZINC27316059 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068951 COC(=O)CCN([C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(=O)Cc1cn(C)cn1 InChI=1S/C33H46N4O5S/c1-31(2)25-10-13-33(31,28(19-25)37(16-11-30(39)42-4)29(38)20-26-21-35(3)23-34-26)22-43(40,41)36-17-14-32(15-18-36)12-9-24-7-5-6-8-27(24)32/h5-8,21,23,25,28H,9-20,22H2,1-4H3/t25-,28+,33-/m1/s1 QXGOFOWWBUNTSX-CEQYTIJJSA-N 50043192 CHEMBL265073::methyl 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl(1-methyl-1H-4-imidazolylmethyl)carboxamido]propanoate Oxytocin receptor Rattus 32 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043192&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10100280 103974663 CHEMBL265073 ZINC27321199 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068954 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2cnc[nH]2)c1=O InChI=1S/C30H39N5O4S/c1-28(2)22-8-10-30(28,25(15-22)35-26(36)18-33(27(35)37)17-23-16-31-20-32-23)19-40(38,39)34-13-11-29(12-14-34)9-7-21-5-3-4-6-24(21)29/h3-6,16,18,20,22,25,36H,7-15,17,19H2,1-2H3,(H,31,32)/t22-,25+,30-/m1/s1 MEPDJEADEAJUOF-YDIMZXDKSA-N 50043093 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL341049 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043093&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929294 103974564 CHEMBL341049 ZINC27320442 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068955 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1cnc[nH]1)C2 InChI=1S/C30H40N4O4S/c1-27(2)23-8-10-29(27,30(36,18-23)11-14-32-26(35)17-24-19-31-21-33-24)20-39(37,38)34-15-12-28(13-16-34)9-7-22-5-3-4-6-25(22)28/h3-7,9,19,21,23,36H,8,10-18,20H2,1-2H3,(H,31,33)(H,32,35)/t23-,29+,30-/m1/s1 WSVMEWCUCBPFII-GOQOSDJISA-N 50043116 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-(1H-4-imidazolyl)acetamide::CHEMBL422612 Oxytocin receptor Rattus 90 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043116&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10347587 103974587 CHEMBL422612 ZINC27320468 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068958 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCC(N)C1=O InChI=1S/C27H39N3O3S/c1-25(2)20-8-11-27(25,23(17-20)30-14-9-22(28)24(30)31)18-34(32,33)29-15-12-26(13-16-29)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3/t20-,22?,23+,27-/m1/s1 CXEXWHKSWBBCDW-XPGHFMRJSA-N 50043185 3-amino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2-pyrrolone::CHEMBL336195 Oxytocin receptor Rattus 60 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043185&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10480543 103974656 CHEMBL336195 ZINC27323122 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068962 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccn1 InChI=1S/C30H39N3O3S/c1-28(2)23-11-13-30(28,26(19-23)32-27(34)20-24-8-5-6-16-31-24)21-37(35,36)33-17-14-29(15-18-33)12-10-22-7-3-4-9-25(22)29/h3-9,16,23,26H,10-15,17-21H2,1-2H3,(H,32,34)/t23-,26+,30-/m1/s1 GPHPGBKCXLZEMD-RHSVSJCASA-N 50043121 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(2-pyridyl)acetamide::CHEMBL335634 Oxytocin receptor Rattus 95 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043121&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10414380 103974592 CHEMBL335634 ZINC27328647 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068968 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 InChI=1S/C29H43N3O6S2/c1-26(2)22-9-12-28(26,29(34,18-22)19-31-25(33)24(30)10-17-39(3,35)36)20-40(37,38)32-15-13-27(14-16-32)11-8-21-6-4-5-7-23(21)27/h4-8,11,22,24,34H,9-10,12-20,30H2,1-3H3,(H,31,33)/t22-,24?,28+,29+/m1/s1 FEPUOBDPUNRMJO-MFCSNTOFSA-N 50043151 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-amino-4-methylsulfonylbutanamide::CHEMBL131388 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043151&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352371 103974622 CHEMBL131388 ZINC27321169 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068970 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC1CCCNC1 InChI=1S/C30H45N3O3S/c1-28(2)24-10-12-30(28,26(19-24)32-27(34)18-22-6-5-15-31-20-22)21-37(35,36)33-16-13-29(14-17-33)11-9-23-7-3-4-8-25(23)29/h3-4,7-8,22,24,26,31H,5-6,9-21H2,1-2H3,(H,32,34)/t22?,24-,26+,30-/m1/s1 QPNPJZRZOJMXQZ-XGRBPJQKSA-N 50043138 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-hexahydro-3-pyridinylacetamide::CHEMBL131239 Oxytocin receptor Rattus 130 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043138&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10052640 103974609 CHEMBL131239 ZINC27319496 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068975 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCC(N)=O InChI=1S/C28H42N4O4S/c1-26(2)20-10-12-28(26,23(17-20)31-25(34)22(29)7-8-24(30)33)18-37(35,36)32-15-13-27(14-16-32)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18,29H2,1-2H3,(H2,30,33)(H,31,34)/t20-,22+,23+,28-/m1/s1 HUBWQAUQKKUZCD-WIIJNUNGSA-N 50043171 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-(2S)-pentanediamide::CHEMBL131650 Oxytocin receptor Rattus 55 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043171&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10075696 103974642 CHEMBL131650 ZINC13734632 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068978 CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C28H41N3O3S/c1-26(2)21-9-12-28(26,24(18-21)31-15-10-23(29-3)25(31)32)19-35(33,34)30-16-13-27(14-17-30)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24,29H,8-19H2,1-3H3/t21-,23?,24+,28-/m1/s1 CKXVTFJGNRLOKF-XFSSTXOUSA-N 50043202 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-methylaminotetrahydro-1H-2-pyrrolone::CHEMBL128388 Oxytocin receptor Rattus 210 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043202&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10391259 103974673 CHEMBL128388 ZINC27319870 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068981 Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C34H48N6O5S/c1-32(2)24-11-13-34(32,21-46(44,45)40-16-14-33(15-17-40)12-10-23-6-4-5-7-26(23)33)28(18-24)38-31(43)27(8-9-29(35)41)37-30(42)19-25-20-36-22-39(25)3/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H2,35,41)(H,37,42)(H,38,43)/t24-,27+,28+,34-/m1/s1 RPBDHIOXHLKZGJ-HYBHZXASSA-N 50043155 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-5-imidazolylmethylcarboxamido)-(2S)-pentanediamide::CHEMBL339929 Oxytocin receptor Rattus 2.3 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043155&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10078034 103974626 CHEMBL339929 ZINC27318345 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068989 CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24-,28-/m0/s1 VQAVBHLGXVZOKM-VSPOGIRPSA-N 50043082 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1R,2S,4S)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL338362 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043082&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10391626 103974553 CHEMBL338362 ZINC27312026 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068992 CC(C)Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O InChI=1S/C30H43N3O4S/c1-20(2)17-24-26(34)33(27(35)31-24)25-18-22-10-12-30(25,28(22,3)4)19-38(36,37)32-15-13-29(14-16-32)11-9-21-7-5-6-8-23(21)29/h5-8,20,22,25,34H,9-19H2,1-4H3,(H,31,35)/t22-,25+,30-/m1/s1 YMRHPAPCSPNUQN-YDIMZXDKSA-N 50043105 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-isobutyltetrahydro-1H-2,4-imidazoledione::CHEMBL128489 Oxytocin receptor Rattus 92 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043105&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929297 103974576 CHEMBL128489 ZINC27317257 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068993 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CCCNC1)C2 InChI=1S/C30H43N3O4S/c1-27(2)24-10-12-29(27,30(35,18-24)20-32-26(34)23-7-5-15-31-19-23)21-38(36,37)33-16-13-28(14-17-33)11-9-22-6-3-4-8-25(22)28/h3-4,6,8-9,11,23-24,31,35H,5,7,10,12-21H2,1-2H3,(H,32,34)/t23?,24-,29+,30+/m1/s1 MJYXHDTVRYPNCQ-XKAMFDSPSA-N 50043145 3N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]hexahydro-3-pyridinecarboxamide::CHEMBL334610 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043145&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352438 103974616 CHEMBL334610 ZINC27324526 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068995 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@](O)(CN)C2 InChI=1S/C24H34N2O3S/c1-21(2)19-8-10-23(21,24(27,15-19)16-25)17-30(28,29)26-13-11-22(12-14-26)9-7-18-5-3-4-6-20(18)22/h3-7,9,19,27H,8,10-17,25H2,1-2H3/t19-,23+,24-/m1/s1 DKSALKIFWFBTCZ-VEXUSMLFSA-N 50043144 2-aminomethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl alcohol::CHEMBL274955 Oxytocin receptor Rattus 10000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043144&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10432863 103974615 CHEMBL274955 ZINC27319044 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069001 Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 InChI=1S/C32H46N4O5S2/c1-30(2)25-10-12-32(30,28(19-25)36(17-18-42(4,38)39)29(37)20-26-21-34(3)23-33-26)22-43(40,41)35-15-13-31(14-16-35)11-9-24-7-5-6-8-27(24)31/h5-8,21,23,25,28H,9-20,22H2,1-4H3/t25-,28+,32-/m1/s1 OYANVNWDSTVDBN-DUIWDDNPSA-N 50043120 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1N-(2-methylsulfonylethyl)-2-(1-methyl-1H-4-imidazolyl)acetamide::CHEMBL339756 Oxytocin receptor Rattus 6 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043120&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11764606 103974591 CHEMBL339756 ZINC27317940 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069003 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)NC1CCCCC1)C2 InChI=1S/C31H45N3O4S/c1-28(2)24-13-15-30(28,31(36,20-24)21-32-27(35)33-25-9-4-3-5-10-25)22-39(37,38)34-18-16-29(17-19-34)14-12-23-8-6-7-11-26(23)29/h6-8,11-12,14,24-25,36H,3-5,9-10,13,15-22H2,1-2H3,(H2,32,33,35)/t24-,30+,31+/m1/s1 VKDQHJQLVZHQNK-GTTXMTDLSA-N 50043203 2-cyclohexyl-ureidomethyl-2-hydroxypropionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338177 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043203&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352393 103974674 CHEMBL338177 ZINC27317328 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069004 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CCCn2ccnc2)c1=O InChI=1S/C32H43N5O4S/c1-30(2)25-9-11-32(30,27(20-25)37-28(38)21-35(29(37)39)16-5-15-34-19-14-33-23-34)22-42(40,41)36-17-12-31(13-18-36)10-8-24-6-3-4-7-26(24)31/h3-4,6-7,14,19,21,23,25,27,38H,5,8-13,15-18,20,22H2,1-2H3/t25-,27+,32-/m1/s1 CKECCXZFMMIVRS-UQXOEWSESA-N 50043148 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-[3-(1H-1-imidazolyl)propyl]tetrahydro-1H-2,4-imidazoledione::CHEMBL340388 Oxytocin receptor Rattus 19 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043148&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929302 103974619 CHEMBL340388 ZINC27317796 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069006 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCc1cnc[nH]1)CCS(C)(=O)=O InChI=1S/C32H47N5O5S2/c1-30(2)25-9-12-32(30,22-44(41,42)37-16-13-31(14-17-37)11-8-24-6-4-5-7-27(24)31)28(20-25)35-29(38)36(18-19-43(3,39)40)15-10-26-21-33-23-34-26/h4-7,21,23,25,28H,8-20,22H2,1-3H3,(H,33,34)(H,35,38)/t25-,28+,32-/m1/s1 XOPKLRFXUQYBBS-DUIWDDNPSA-N 50043181 2-(1H-imidazol-4-yl)-ethyl]-1-(2-methanesulfonyl-ethyl)-ureido-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL338576 Oxytocin receptor Rattus 16 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043181&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10054982 103974652 CHEMBL338576 ZINC03923117 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069010 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccs1 InChI=1S/C28H36N2O3S2/c1-26(2)21-10-12-28(26,24(18-21)29-25(31)23-8-5-17-34-23)19-35(32,33)30-15-13-27(14-16-30)11-9-20-6-3-4-7-22(20)27/h3-8,17,21,24H,9-16,18-19H2,1-2H3,(H,29,31)/t21-,24+,28-/m1/s1 IVMBPHOMCIWUHC-RASJMTDNSA-N 50043200 2N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-thiophenecarboxamide::CHEMBL339783 Oxytocin receptor Rattus 620 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043200&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10255857 103974671 CHEMBL339783 ZINC27320373 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069011 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1cnc[nH]1 InChI=1S/C33H46N6O5S/c1-31(2)23-10-12-33(31,20-45(43,44)39-15-13-32(14-16-39)11-9-22-5-3-4-6-25(22)32)27(17-23)38-30(42)26(7-8-28(34)40)37-29(41)18-24-19-35-21-36-24/h3-6,19,21,23,26-27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,26+,27+,33-/m1/s1 AQCMDBDNERGAJQ-DMBDEIPHSA-N 50043156 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolylmethylcarboxamido)-(2S)-pentanediamide::CHEMBL336082 Oxytocin receptor Rattus 2.2 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043156&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11764710 103974627 CHEMBL336082 ZINC03923122 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069015 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CCC1=O InChI=1S/C27H36N2O4S/c1-25(2)20-10-12-27(25,22(17-20)29-23(30)7-8-24(29)31)18-34(32,33)28-15-13-26(14-16-28)11-9-19-5-3-4-6-21(19)26/h3-6,20,22H,7-18H2,1-2H3/t20-,22+,27-/m1/s1 TUMQIIANWBXIDF-SBQVMTCPSA-N 50043109 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione::CHEMBL435019 Oxytocin receptor Rattus 11 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043109&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10368075 103974580 CHEMBL435019 ZINC27317739 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069016 CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C26H36N2O4S/c1-19(29)27-17-26(30)16-21-9-11-25(26,23(21,2)3)18-33(31,32)28-14-12-24(13-15-28)10-8-20-6-4-5-7-22(20)24/h4-8,10,21,30H,9,11-18H2,1-3H3,(H,27,29)/t21-,25+,26+/m1/s1 CDXCUUGKLYZBPY-NYMACZPPSA-N 50043099 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]acetamide::CHEMBL339151 Oxytocin receptor Rattus 130 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043099&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352497 103974570 CHEMBL339151 ZINC27319036 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069019 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cccnc1)C2 InChI=1S/C31H39N3O4S/c1-28(2)25-10-12-30(28,31(36,19-25)21-33-27(35)18-23-6-5-15-32-20-23)22-39(37,38)34-16-13-29(14-17-34)11-9-24-7-3-4-8-26(24)29/h3-9,11,15,20,25,36H,10,12-14,16-19,21-22H2,1-2H3,(H,33,35)/t25-,30+,31+/m1/s1 PCUKLINYEPRYIY-IUNZSJPTSA-N 50043162 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(3-pyridyl)acetamide::CHEMBL131551 Oxytocin receptor Rattus 53 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043162&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352413 103974633 CHEMBL131551 ZINC27328964 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069022 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CCN InChI=1S/C31H47N5O5S/c1-29(2)22-10-13-31(29,25(19-22)35-28(39)24(7-8-26(33)37)34-27(38)11-16-32)20-42(40,41)36-17-14-30(15-18-36)12-9-21-5-3-4-6-23(21)30/h3-6,22,24-25H,7-20,32H2,1-2H3,(H2,33,37)(H,34,38)(H,35,39)/t22-,24+,25+,31-/m1/s1 HRJSXSSUQRUMKA-VNHOOUBUSA-N 50043060 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(2-aminoethylcarboxamido)-(2S)-pentanediamide::CHEMBL128219 Oxytocin receptor Rattus 6.3 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043060&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10258045 103974531 CHEMBL128219 ZINC03923127 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069026 CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1 InChI=1S/C30H42N4O3S/c1-27(2,25-18-31-20-32-25)26(35)33-24-17-22-10-12-30(24,28(22,3)4)19-38(36,37)34-15-13-29(14-16-34)11-9-21-7-5-6-8-23(21)29/h5-8,18,20,22,24H,9-17,19H2,1-4H3,(H,31,32)(H,33,35)/t22-,24+,30-/m1/s1 SRWBFDABAOKZPN-ROZHPIASSA-N 50043074 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)-2-methylpropanamide::CHEMBL131564 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043074&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10414877 103974545 CHEMBL131564 ZINC27325815 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069030 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccccn1)C2 InChI=1S/C30H37N3O4S/c1-27(2)23-11-13-29(27,30(35,19-23)20-32-26(34)25-9-5-6-16-31-25)21-38(36,37)33-17-14-28(15-18-33)12-10-22-7-3-4-8-24(22)28/h3-10,12,16,23,35H,11,13-15,17-21H2,1-2H3,(H,32,34)/t23-,29+,30+/m1/s1 IWWVICGUVNGTPR-STQWGSIPSA-N 50043182 2N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-pyridinecarboxamide::CHEMBL130887 Oxytocin receptor Rattus 180 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043182&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352441 103974653 CHEMBL130887 ZINC27323510 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069032 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NCCc1cnc[nH]1 InChI=1S/C29H41N5O3S/c1-27(2)22-8-11-29(27,25(17-22)33-26(35)31-14-9-23-18-30-20-32-23)19-38(36,37)34-15-12-28(13-16-34)10-7-21-5-3-4-6-24(21)28/h3-6,18,20,22,25H,7-17,19H2,1-2H3,(H,30,32)(H2,31,33,35)/t22-,25+,29-/m1/s1 VOAPNCFXGPNKGC-NUJSINJASA-N 50043112 2-1H-Imidazol-4-yl-ethyl urea-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL421248 Oxytocin receptor Rattus 68 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043112&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10324995 103974583 CHEMBL421248 ZINC27319357 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069036 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CC(CN1)S(C)(=O)=O InChI=1S/C29H43N3O5S2/c1-27(2)21-9-11-29(27,25(16-21)31-26(33)24-17-22(18-30-24)38(3,34)35)19-39(36,37)32-14-12-28(13-15-32)10-8-20-6-4-5-7-23(20)28/h4-7,21-22,24-25,30H,8-19H2,1-3H3,(H,31,33)/t21-,22?,24?,25+,29-/m1/s1 OXIUYFTYKSWDKX-OYFHCDMDSA-N 50043107 2N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-4-methylsulfonyltetrahydro-1H-2-pyrrolecarboxamide::CHEMBL340362 Oxytocin receptor Rattus 100 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043107&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352490 103974578 CHEMBL340362 ZINC27316079 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069038 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1ccccc1 InChI=1S/C32H42N2O3S/c1-30(2)26-15-17-32(30,28(22-26)33-29(35)13-12-24-8-4-3-5-9-24)23-38(36,37)34-20-18-31(19-21-34)16-14-25-10-6-7-11-27(25)31/h3-11,26,28H,12-23H2,1-2H3,(H,33,35)/t26-,28+,32-/m1/s1 LGHZXVDXMDCFKM-OBNYREETSA-N 50043175 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-phenylpropanamide::CHEMBL336857 Oxytocin receptor Rattus 530 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043175&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10052855 103974646 CHEMBL336857 ZINC27322267 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069044 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccnc1 InChI=1S/C29H37N3O3S/c1-27(2)23-10-12-29(27,25(18-23)31-26(33)22-7-5-15-30-19-22)20-36(34,35)32-16-13-28(14-17-32)11-9-21-6-3-4-8-24(21)28/h3-8,15,19,23,25H,9-14,16-18,20H2,1-2H3,(H,31,33)/t23-,25+,29-/m1/s1 UHAAABVBSFIWRT-OBZNHSRCSA-N 50043158 3N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]nicotinamide::CHEMBL130770 Oxytocin receptor Rattus 260 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043158&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10391520 103974629 CHEMBL130770 ZINC27322155 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069058 CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C29H43N3O4S/c1-20(2)24(30)25(33)31-18-29(34)17-22-10-12-28(29,26(22,3)4)19-37(35,36)32-15-13-27(14-16-32)11-9-21-7-5-6-8-23(21)27/h5-9,11,20,22,24,34H,10,12-19,30H2,1-4H3,(H,31,33)/t22-,24+,28+,29+/m1/s1 PPWHAMJHWSQFJG-TVFROPFISA-N 50043180 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-amino-3-methyl-(2S)-butanamide::CHEMBL127445 Oxytocin receptor Rattus 43 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043180&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352374 103974651 CHEMBL127445 ZINC27318819 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069059 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1nnn[nH]1)C2 InChI=1S/C28H38N6O4S/c1-25(2)21-8-10-27(25,28(36,18-21)11-14-29-24(35)17-23-30-32-33-31-23)19-39(37,38)34-15-12-26(13-16-34)9-7-20-5-3-4-6-22(20)26/h3-7,9,21,36H,8,10-19H2,1-2H3,(H,29,35)(H,30,31,32,33)/t21-,27+,28-/m1/s1 JKTUEPGFZMZOAR-AOLGGSBGSA-N 50043052 1N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-(1H-1,2,3,4-tetraazol-5-yl)acetamide::CHEMBL334332 Oxytocin receptor Rattus 300 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043052&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10053396 103974523 CHEMBL334332 ZINC27322184 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069064 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CN)[nH]c1=O InChI=1S/C27H38N4O4S/c1-25(2)19-8-10-27(25,22(15-19)31-23(32)21(16-28)29-24(31)33)17-36(34,35)30-13-11-26(12-14-30)9-7-18-5-3-4-6-20(18)26/h3-6,19,22,32H,7-17,28H2,1-2H3,(H,29,33)/t19-,22+,27-/m1/s1 MHLVIELKSGRWTD-JTPXSGRQSA-N 50043197 5-aminomethyl-3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,4-imidazoledione::CHEMBL130905 Oxytocin receptor Rattus 35 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043197&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929307 103974668 CHEMBL130905 ZINC27325769 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069066 CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m0/s1 VQAVBHLGXVZOKM-YBZFOXLFSA-N 50043094 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL337519 Oxytocin receptor Rattus 1200 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043094&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9983834 103974565 CHEMBL337519 ZINC13731690 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069067 CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C25H36N2O3S/c1-18(28)26-22-16-20-9-11-25(22,23(20,2)3)17-31(29,30)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-7,20,22H,8-17H2,1-3H3,(H,26,28)/t20-,22+,25-/m1/s1 ZLUILTZQJPVJRD-JLRUASKGSA-N 50043070 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]acetamide::CHEMBL337212 Oxytocin receptor Rattus 390 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043070&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10366192 103974541 CHEMBL337212 ZINC27320938 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069072 CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C InChI=1S/C34H47N5O5S/c1-23(2)29(38-28(40)17-26-19-35-22-37-26)30(41)36-20-34(42)18-25-10-12-33(34,31(25,3)4)21-45(43,44)39-15-13-32(14-16-39)11-9-24-7-5-6-8-27(24)32/h5-9,11,19,22-23,25,29,42H,10,12-18,20-21H2,1-4H3,(H,35,37)(H,36,41)(H,38,40)/t25-,29+,33+,34+/m1/s1 ZRLPQYDAFAJZCB-QHYGJLJCSA-N 50043204 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1H-4-imidazolylmethylcarboxamido)-3-methyl-(2S)-butanamide::CHEMBL337889 Oxytocin receptor Rattus 8.3 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043204&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352427 103974675 CHEMBL337889 ZINC27324487 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069078 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCC(N)=O InChI=1S/C33H46N6O5S/c1-31(2)23-10-12-33(31,20-45(43,44)39-15-13-32(14-16-39)11-9-22-5-3-4-6-25(22)32)27(17-23)38-30(42)26(18-24-19-35-21-36-24)37-29(41)8-7-28(34)40/h3-6,19,21,23,26-27H,7-18,20H2,1-2H3,(H2,34,40)(H,35,36)(H,37,41)(H,38,42)/t23-,26-,27+,33-/m1/s1 DBFLKUZWJVVUHI-KSRTZFIWSA-N 50043115 1N-[1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylcarbamoyl]-2-(1H-4-imidazolyl)-(1R)-ethyl]succinamide::CHEMBL128652 Oxytocin receptor Rattus 32 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043115&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352311 103974586 CHEMBL128652 ZINC27314315 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069079 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCNC1=O InChI=1S/C26H37N3O3S/c1-24(2)20-8-10-26(24,22(17-20)29-16-13-27-23(29)30)18-33(31,32)28-14-11-25(12-15-28)9-7-19-5-3-4-6-21(19)25/h3-6,20,22H,7-18H2,1-2H3,(H,27,30)/t20-,22+,26-/m1/s1 KWNDVCGBDHUWCG-LIXHSBQKSA-N 50043117 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2-imidazolone::CHEMBL130768 Oxytocin receptor Rattus 100 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043117&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10073512 103974588 CHEMBL130768 ZINC27321952 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069082 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1cccnc1)C2 InChI=1S/C30H37N3O4S/c1-27(2)24-10-12-29(27,30(35,18-24)20-32-26(34)23-7-5-15-31-19-23)21-38(36,37)33-16-13-28(14-17-33)11-9-22-6-3-4-8-25(22)28/h3-9,11,15,19,24,35H,10,12-14,16-18,20-21H2,1-2H3,(H,32,34)/t24-,29+,30+/m1/s1 RQQOFCUQMQZPCR-FRDKBHKLSA-N 50043137 3N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]nicotinamide::CHEMBL128726 Oxytocin receptor Rattus 100 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043137&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352453 103974608 CHEMBL128726 ZINC27318312 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069086 Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O InChI=1S/C27H37N3O4S/c1-18-23(31)30(24(32)28-18)22-16-20-9-11-27(22,25(20,2)3)17-35(33,34)29-14-12-26(13-15-29)10-8-19-6-4-5-7-21(19)26/h4-7,20,22,31H,8-17H2,1-3H3,(H,28,32)/t20-,22+,27-/m1/s1 GRYSBJWYRIQWAD-SBQVMTCPSA-N 50043065 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-methyltetrahydro-1H-2,4-imidazoledione::CHEMBL128712 Oxytocin receptor Rattus 14 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043065&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929286 103974536 CHEMBL128712 ZINC27318860 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069088 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(CCC1=O)C(O)=O InChI=1S/C28H38N2O5S/c1-26(2)20-10-12-28(26,23(17-20)30-22(25(32)33)7-8-24(30)31)18-36(34,35)29-15-13-27(14-16-29)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18H2,1-2H3,(H,32,33)/t20-,22?,23+,28-/m1/s1 RXYOZLSKTAHXGH-KYFUVCTDSA-N 50043193 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-oxotetrahydro-1H-2-pyrrolecarboxylic acid::CHEMBL132064 Oxytocin receptor Rattus 270 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043193&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11756226 103974664 CHEMBL132064 ZINC27324704 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069089 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1ccccc1 InChI=1S/C31H40N2O3S/c1-29(2)25-13-15-31(29,27(21-25)32-28(34)20-23-8-4-3-5-9-23)22-37(35,36)33-18-16-30(17-19-33)14-12-24-10-6-7-11-26(24)30/h3-11,25,27H,12-22H2,1-2H3,(H,32,34)/t25-,27-,31-/m1/s1 SOFJTVINDOUOCN-LMGPPYNSSA-N 50043147 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl]-2-phenylacetamide::CHEMBL131613 Oxytocin receptor Rattus 1000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043147&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10256140 103974618 CHEMBL131613 ZINC27321768 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069092 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1 VQAVBHLGXVZOKM-RASJMTDNSA-N 50043194 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL338522 Oxytocin receptor Rattus 52 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043194&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10413997 103974665 CHEMBL338522 2246 ZINC03777438 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069094 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](N)C2 InChI=1S/C23H34N2O2S/c1-21(2)18-8-10-23(21,20(24)15-18)16-28(26,27)25-13-11-22(12-14-25)9-7-17-5-3-4-6-19(17)22/h3-6,18,20H,7-16,24H2,1-2H3/t18-,20-,23-/m1/s1 TZHCWDOORMHKCA-KKLQWCBXSA-N 50043153 7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylamine::CHEMBL129955 Oxytocin receptor Rattus 6500 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043153&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10363767 103974624 CHEMBL129955 ZINC27329197 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069097 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC#N)C2 InChI=1S/C25H32N2O3S/c1-22(2)20-8-10-24(22,25(28,17-20)11-14-26)18-31(29,30)27-15-12-23(13-16-27)9-7-19-5-3-4-6-21(19)23/h3-7,9,20,28H,8,10-13,15-18H2,1-2H3/t20-,24+,25-/m1/s1 AQSJOHFTCLAXDU-DCEDVJGZSA-N 50043128 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]acetonitrile::CHEMBL131499 Oxytocin receptor Rattus 770 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043128&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10026274 103974599 CHEMBL131499 ZINC27308325 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069099 CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C29H44N4O4S/c1-27(2)22-10-12-29(27,24(17-22)31-25(34)18-30-26(35)19-32(3)4)20-38(36,37)33-15-13-28(14-16-33)11-9-21-7-5-6-8-23(21)28/h5-8,22,24H,9-20H2,1-4H3,(H,30,35)(H,31,34)/t22-,24+,29-/m1/s1 SLBFOIVYQOCPHN-HXVQJGFHSA-N 50043075 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-ylcarbamoylmethyl]-2-dimethylaminoacetamide::CHEMBL132211 Oxytocin receptor Rattus 61 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043075&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10460052 103974546 CHEMBL132211 ZINC03923148 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069100 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN InChI=1S/C30H46N4O6S2/c1-28(2)22-9-12-30(28,25(18-22)33-27(36)24(32-26(35)19-31)10-17-41(3,37)38)20-42(39,40)34-15-13-29(14-16-34)11-8-21-6-4-5-7-23(21)29/h4-7,22,24-25H,8-20,31H2,1-3H3,(H,32,35)(H,33,36)/t22-,24?,25+,30-/m1/s1 FRXULSOGAQLHDP-FNZAGENKSA-N 50043102 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-aminomethylcarboxamido-4-methylsulfonylbutanamide::CHEMBL339498 Oxytocin receptor Rattus 4.1 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043102&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352433 103974573 CHEMBL339498 ZINC27313809 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069105 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2 InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)/t19-,24+,25+/m1/s1 XKVDTEPESVJNPJ-NGXZDTIWSA-N 50043199 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]acetic acid::CHEMBL341339 Oxytocin receptor Rattus 800 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043199&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9981665 103974670 CHEMBL341339 ZINC03782522 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069108 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccncc1 InChI=1S/C29H37N3O3S/c1-27(2)23-8-12-29(27,25(19-23)31-26(33)22-9-15-30-16-10-22)20-36(34,35)32-17-13-28(14-18-32)11-7-21-5-3-4-6-24(21)28/h3-6,9-10,15-16,23,25H,7-8,11-14,17-20H2,1-2H3,(H,31,33)/t23-,25+,29-/m1/s1 PPFHOCOROALDFI-OBZNHSRCSA-N 50043139 4N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]isonicotinamide::CHEMBL276079 Oxytocin receptor Rattus 190 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043139&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10436274 103974610 CHEMBL276079 ZINC27320234 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069109 Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1 InChI=1S/C34H49N5O6S2/c1-32(2)25-10-13-34(32,22-47(44,45)39-16-14-33(15-17-39)12-9-24-7-5-6-8-27(24)33)29(19-25)37-31(41)28(11-18-46(4,42)43)36-30(40)20-26-21-38(3)23-35-26/h5-8,21,23,25,28-29H,9-20,22H2,1-4H3,(H,36,40)(H,37,41)/t25-,28?,29+,34-/m1/s1 WHPAWLNOEGXKCE-RDCGHXLXSA-N 50043198 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1-methyl-1H-4-imidazolylmethylcarboxamido)-4-methylsulfonylbutanamide::CHEMBL338711 Oxytocin receptor Rattus 0.700000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043198&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352184 103974669 CHEMBL338711 ZINC27314840 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069117 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1nnc(N)[nH]1)C2 InChI=1S/C27H36N6O4S/c1-24(2)19-8-10-26(24,27(35,15-19)16-29-22(34)21-30-23(28)32-31-21)17-38(36,37)33-13-11-25(12-14-33)9-7-18-5-3-4-6-20(18)25/h3-7,9,19,35H,8,10-17H2,1-2H3,(H,29,34)(H3,28,30,31,32)/t19-,26+,27+/m1/s1 FKHJIODIOZWEJC-VHEIIQRDSA-N 50043081 5N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-3-amino-1H-1,2,4-triazole-5-carboxamide::CHEMBL337853 Oxytocin receptor Rattus 50 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043081&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352347 103974552 CHEMBL337853 ZINC27321223 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069121 CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C InChI=1S/C30H47N3O5S2/c1-28(2)23-11-14-30(28,26(20-23)31-27(34)25(32(3)4)12-19-39(5,35)36)21-40(37,38)33-17-15-29(16-18-33)13-10-22-8-6-7-9-24(22)29/h6-9,23,25-26H,10-21H2,1-5H3,(H,31,34)/t23-,25?,26+,30-/m1/s1 VQSZYMQVBWDSJN-MAMYHSDDSA-N 50043098 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-dimethylamino-4-methylsulfonylbutanamide::CHEMBL128749 Oxytocin receptor Rattus 4.9 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043098&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352492 103974569 CHEMBL128749 ZINC27316413 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069122 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)C(=O)[C@H](N)CC(N)=O InChI=1S/C27H39N3O4S/c1-25(2)19-8-10-27(25,21(15-19)24(32)22(28)16-23(29)31)17-35(33,34)30-13-11-26(12-14-30)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17,28H2,1-2H3,(H2,29,31)/t19-,21-,22-,27-/m1/s1 FUVLBFHIEHVTRJ-BMWKMAGWSA-N 50043073 3-amino-4-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1R,2S,4R)-bicyclo[2.2.1]hept-2-yl]-4-oxo-(3R)-butanamide::CHEMBL131538 Oxytocin receptor Rattus 90 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043073&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352141 103974544 CHEMBL131538 ZINC27324853 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069123 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C1(CNC(=O)O1)C2 InChI=1S/C25H32N2O4S/c1-22(2)19-8-10-24(22,25(15-19)16-26-21(28)31-25)17-32(29,30)27-13-11-23(12-14-27)9-7-18-5-3-4-6-20(18)23/h3-7,9,19H,8,10-17H2,1-2H3,(H,26,28)/t19-,24+,25?/m1/s1 RHXIJMSJHBWVDD-DGACUGMISA-N 50043179 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-spiro[bicyclo[2.2.1]heptane-2,5'-(tetrahydro[1,3]oxazolane)]-2'-one::CHEMBL131101 Oxytocin receptor Rattus >1000 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043179&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352136 103974650 CHEMBL131101 ZINC27321823 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069128 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cccnc1 InChI=1S/C31H41N3O3S/c1-29(2)25-12-14-31(29,27(20-25)33-28(35)10-9-23-6-5-17-32-21-23)22-38(36,37)34-18-15-30(16-19-34)13-11-24-7-3-4-8-26(24)30/h3-8,17,21,25,27H,9-16,18-20,22H2,1-2H3,(H,33,35)/t25-,27+,31-/m1/s1 SPKUKHYFTMXAGU-YHZWXPKMSA-N 50043091 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-(3-pyridyl)propanamide::CHEMBL434993 Oxytocin receptor Rattus 180 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043091&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10347089 103974562 CHEMBL434993 ZINC27322877 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069133 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O InChI=1S/C29H40N8O4S/c1-27(2)19-8-10-29(27,22(15-19)37-23(38)21(32-26(37)39)16-31-25-33-24(30)34-35-25)17-42(40,41)36-13-11-28(12-14-36)9-7-18-5-3-4-6-20(18)28/h3-6,19,22,38H,7-17H2,1-2H3,(H,32,39)(H4,30,31,33,34,35)/t19-,22+,29-/m1/s1 DDVCFWNXFORQCF-GUDDLILSSA-N 50043141 5-(3-amino-1H-1,2,4-triazol-5-ylaminomethyl)-3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,4-imidazoledione::CHEMBL339524 Oxytocin receptor Rattus 6.7 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043141&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929301 103974612 CHEMBL339524 ZINC27319977 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069134 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN1C(=O)CCC1=O)C2 InChI=1S/C28H36N2O5S/c1-25(2)21-10-12-27(25,28(33,17-21)18-30-23(31)7-8-24(30)32)19-36(34,35)29-15-13-26(14-16-29)11-9-20-5-3-4-6-22(20)26/h3-6,9,11,21,33H,7-8,10,12-19H2,1-2H3/t21-,27+,28+/m1/s1 YIXFBWIVECEPSW-MHWRTBLVSA-N 50043078 1-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]tetrahydro-1H-2,5-pyrroledione::CHEMBL128216 Oxytocin receptor Rattus 110 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043078&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352360 103974549 CHEMBL128216 ZINC27315276 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069138 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1 InChI=1S/C33H47N5O6S2/c1-31(2)24-9-12-33(31,21-46(43,44)38-15-13-32(14-16-38)11-8-23-6-4-5-7-26(23)32)28(18-24)37-30(40)27(10-17-45(3,41)42)36-29(39)19-25-20-34-22-35-25/h4-7,20,22,24,27-28H,8-19,21H2,1-3H3,(H,34,35)(H,36,39)(H,37,40)/t24-,27?,28+,33-/m1/s1 CCTOAPPCWGJDKF-PKCCXPMWSA-N 50043186 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolylmethylcarboxamido)-4-methylsulfonylbutanamide::CHEMBL131477 Oxytocin receptor Rattus 1.2 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043186&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44352185 103974657 CHEMBL131477 ZINC27322658 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069139 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1nnn[nH]1 InChI=1S/C26H36N6O3S/c1-24(2)19-8-10-26(24,21(15-19)27-23(33)16-22-28-30-31-29-22)17-36(34,35)32-13-11-25(12-14-32)9-7-18-5-3-4-6-20(18)25/h3-6,19,21H,7-17H2,1-2H3,(H,27,33)(H,28,29,30,31)/t19-,21+,26-/m1/s1 OSMPFKIPGKAUER-BNIKKZEQSA-N 50043205 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-1,2,3,4-tetraazol-5-yl)acetamide::CHEMBL340334 Oxytocin receptor Rattus 220 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043205&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10052134 103974676 CHEMBL340334 ZINC27312039 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069140 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccncc1)C2 InChI=1S/C31H39N3O4S/c1-28(2)25-8-12-30(28,31(36,21-25)13-18-33-27(35)24-9-16-32-17-10-24)22-39(37,38)34-19-14-29(15-20-34)11-7-23-5-3-4-6-26(23)29/h3-7,9-11,16-17,25,36H,8,12-15,18-22H2,1-2H3,(H,33,35)/t25-,30+,31-/m1/s1 HLXXQCXRVPQYRE-SDDUWZMOSA-N 50043125 4N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}isonicotinamide::CHEMBL337615 Oxytocin receptor Rattus 79 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043125&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10030443 103974596 CHEMBL337615 ZINC27321413 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069142 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(O)=O)[nH]c1=O InChI=1S/C28H37N3O6S/c1-26(2)19-8-10-28(26,22(15-19)31-24(34)21(16-23(32)33)29-25(31)35)17-38(36,37)30-13-11-27(12-14-30)9-7-18-5-3-4-6-20(18)27/h3-6,19,22,34H,7-17H2,1-2H3,(H,29,35)(H,32,33)/t19-,22+,28-/m1/s1 SPHMTTSJILQQDJ-SGXKSUMTSA-N 50043049 2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-4-imidazolyl}acetic acid::CHEMBL338548 Oxytocin receptor Rattus 50 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043049&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929283 103974520 CHEMBL338548 ZINC27317899 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069143 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2 InChI=1S/C32H40N2O4S/c1-29(2)26-13-15-31(29,32(36,22-26)16-19-33-28(35)25-9-4-3-5-10-25)23-39(37,38)34-20-17-30(18-21-34)14-12-24-8-6-7-11-27(24)30/h3-12,14,26,36H,13,15-23H2,1-2H3,(H,33,35)/t26-,31+,32-/m1/s1 QFWZTWHBJJQSER-WHODAWOQSA-N 50043201 2-hydroxy-7,7-dimethyl-2-(2-phenylcarboxamidoethyl)-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL276906 Oxytocin receptor Rattus 220 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043201&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10007685 103974672 CHEMBL276906 ZINC27321965 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50069127 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCCc1ccccc1 InChI=1S/C33H44N2O3S/c1-31(2)27-16-18-33(31,29(23-27)34-30(36)14-8-11-25-9-4-3-5-10-25)24-39(37,38)35-21-19-32(20-22-35)17-15-26-12-6-7-13-28(26)32/h3-7,9-10,12-13,27,29H,8,11,14-24H2,1-2H3,(H,34,36)/t27-,29+,33-/m1/s1 PBKNULAUHODHIM-BXLMYXQVSA-N 50043167 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-4-phenylbutanamide::CHEMBL338490 Oxytocin receptor Rattus 570 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043167&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9984984 103974638 CHEMBL338490 ZINC27320617 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50094647 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1 MQUDGMCUJBZYJS-FAJKJHJLSA-N 50056795 CHEMBL353396::Deaminooxytocin Trisulfide Oxytocin receptor Rattus 3 ChEMBL 10.1021/jm9607156 10.7270/Q28P5ZK3 9083475 Chen, L; Zoulikova, I; Slaninova, J; Barany, G University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056795&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10510242 103952936 CHEMBL353396 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50094648 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1 GTYWGUNQAMYZPF-FAJKJHJLSA-N 50056796 CHEMBL435716::DEAMINOOXYTOCIN Oxytocin receptor Rattus 0.9 ChEMBL 10.1021/jm9607156 10.7270/Q28P5ZK3 9083475 Chen, L; Zoulikova, I; Slaninova, J; Barany, G University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056796&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 13242839 103952937 CHEMBL435716 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50094649 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H65N11O12S3/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-69-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 MQUDGMCUJBZYJS-QPLNMOKZSA-N 50056797 CHEMBL352836::Oxytocin Trisulfide Oxytocin receptor Rattus 6 ChEMBL 10.1021/jm9607156 10.7270/Q28P5ZK3 9083475 Chen, L; Zoulikova, I; Slaninova, J; Barany, G University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056797&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11083629 103952938 CHEMBL352836 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111092 CCc1c(CN2CCC(CC2)Oc2cc(OC)c(cc2F)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(C)cc(C)[n+]1[O-] InChI=1S/C36H43FN4O6/c1-5-31-29(23(2)18-24(3)41(31)44)21-38-14-12-27(13-15-38)47-34-20-33(45-4)28(19-30(34)37)35(42)39-16-10-26(11-17-39)40-32-9-7-6-8-25(32)22-46-36(40)43/h6-9,18-20,26-27H,5,10-17,21-22H2,1-4H3 FVEMLZOMNFSTQP-UHFFFAOYSA-N 50064709 1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-5-fluoro-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL66985 Oxytocin receptor Rattus 3.4 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064709&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10627984 103959691 CHEMBL66985 ZINC58587368 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111093 COc1cc(OC2CCN(Cc3c[n+]([O-])c(C)cc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C34H40N4O6/c1-23-18-24(2)37(41)21-26(23)20-35-14-12-28(13-15-35)44-29-8-9-30(32(19-29)42-3)33(39)36-16-10-27(11-17-36)38-31-7-5-4-6-25(31)22-43-34(38)40/h4-9,18-19,21,27-28H,10-17,20,22H2,1-3H3 VEFMZOCSBCFHBJ-UHFFFAOYSA-N 50064710 1-(1-{4-[1-(4,6-Dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL68199 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064710&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10627414 103959692 CHEMBL68199 ZINC26273191 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111094 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3 SKWSXDUHUVMPBT-UHFFFAOYSA-N 50064711 1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL306645 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064711&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311202 103959693 CHEMBL306645 2253 ZINC53122854 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111098 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C32H36N4O6/c1-40-30-19-27(42-26-12-15-33(16-13-26)20-23-5-4-14-35(39)21-23)8-9-28(30)31(37)34-17-10-25(11-18-34)36-29-7-3-2-6-24(29)22-41-32(36)38/h2-9,14,19,21,25-26H,10-13,15-18,20,22H2,1H3 PSDWIGDAKCVFIN-UHFFFAOYSA-N 50064714 1-(1-{2-Methoxy-4-[1-(1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL69539 Oxytocin receptor Rattus 29 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064714&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10793202 103959696 CHEMBL69539 ZINC26267798 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111099 COc1cc(OC2CCN(Cc3ccc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C34H40N4O6/c1-23-8-9-25(24(2)38(23)41)21-35-16-14-28(15-17-35)44-29-10-11-30(32(20-29)42-3)33(39)36-18-12-27(13-19-36)37-31-7-5-4-6-26(31)22-43-34(37)40/h4-11,20,27-28H,12-19,21-22H2,1-3H3 XPBLYKQSZGYHMD-UHFFFAOYSA-N 50064715 1-(1-{4-[1-(2,6-Dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL65949 Oxytocin receptor Rattus 27 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064715&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10722297 103959697 CHEMBL65949 ZINC26266682 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111102 COc1cc(OC2CCN(CC2)C2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3 XMCRJVIWAZBDSM-UHFFFAOYSA-N 50064717 1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL66992 Oxytocin receptor Rattus 7.7 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064717&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44214438 103959699 CHEMBL66992 ZINC14096480 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111103 COc1cc(OC2CCN(Cc3ccccn3)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C32H36N4O5/c1-39-30-20-27(41-26-13-16-34(17-14-26)21-24-7-4-5-15-33-24)9-10-28(30)31(37)35-18-11-25(12-19-35)36-29-8-3-2-6-23(29)22-40-32(36)38/h2-10,15,20,25-26H,11-14,16-19,21-22H2,1H3 KLOXSLGBSGTFCB-UHFFFAOYSA-N 50064718 1-{1-[2-Methoxy-4-(1-pyridin-2-ylmethyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL66567 Oxytocin receptor Rattus 36 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064718&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10602875 103959700 CHEMBL66567 ZINC26263038 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111106 COc1cc(OC2CCN(CC2)C(=O)c2ccc[n+]([O-])c2C)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H36N4O7/c1-22-27(7-5-15-36(22)41)31(38)35-18-13-25(14-19-35)44-26-9-10-28(30(20-26)42-2)32(39)34-16-11-24(12-17-34)37-29-8-4-3-6-23(29)21-43-33(37)40/h3-10,15,20,24-25H,11-14,16-19,21H2,1-2H3 NKIOCWCMFVGTGE-UHFFFAOYSA-N 50064720 1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridine-3-carbonyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL65950 Oxytocin receptor Rattus 14 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064720&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10746141 103959702 CHEMBL65950 ZINC26266701 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111110 COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H38N4O6/c1-23-9-18-36(40)21-25(23)20-34-14-12-27(13-15-34)43-28-7-8-29(31(19-28)41-2)32(38)35-16-10-26(11-17-35)37-30-6-4-3-5-24(30)22-42-33(37)39/h3-9,18-19,21,26-27H,10-17,20,22H2,1-2H3 GYAHVWAMDVYWNR-UHFFFAOYSA-N 50064722 1-(1-{2-Methoxy-4-[1-(4-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL303487 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064722&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10841081 103959704 CHEMBL303487 ZINC26277511 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111112 COc1cc(OC2CCN(Cc3cccnc3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H38N4O5/c1-23-24(7-5-15-34-23)21-35-16-13-27(14-17-35)42-28-9-10-29(31(20-28)40-2)32(38)36-18-11-26(12-19-36)37-30-8-4-3-6-25(30)22-41-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3 PVXXVXNZUNXPMQ-UHFFFAOYSA-N 50064724 1-(1-{2-Methoxy-4-[1-(2-methyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL69520 Oxytocin receptor Rattus 25 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064724&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10507277 103959706 CHEMBL69520 ZINC03931580 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111113 COc1cc(OC2CCN(CC2)C2CCCc3c2ccc[n+]3[O-])ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H40N4O6/c1-43-33-22-27(45-26-15-20-36(21-16-26)31-9-4-10-32-28(31)7-5-17-38(32)42)11-12-29(33)34(40)37-18-13-25(14-19-37)39-30-8-3-2-6-24(30)23-44-35(39)41/h2-3,5-8,11-12,17,22,25-26,31H,4,9-10,13-16,18-21,23H2,1H3 GRKWMUZMGMYCOJ-UHFFFAOYSA-N 50064723 1-(1-{2-Methoxy-4-[1-(1-oxy-5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL69201 Oxytocin receptor Rattus 20 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064723&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10579644 103959705 CHEMBL69201 ZINC26282639 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111114 COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H42N4O6/c1-23-19-24(2)39(42)25(3)31(23)21-36-15-13-28(14-16-36)45-29-9-10-30(33(20-29)43-4)34(40)37-17-11-27(12-18-37)38-32-8-6-5-7-26(32)22-44-35(38)41/h5-10,19-20,27-28H,11-18,21-22H2,1-4H3 CYYWEDCKAVRNEW-UHFFFAOYSA-N 50064726 1-(1-{2-Methoxy-4-[1-(2,4,6-trimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL306010 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064726&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10651439 103959708 CHEMBL306010 ZINC26267824 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111120 COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H34F4N4O6/c1-45-29-17-30(47-24-8-11-38(12-9-24)18-22-19-40(44)15-10-26(22)33(35,36)37)27(34)16-25(29)31(42)39-13-6-23(7-14-39)41-28-5-3-2-4-21(28)20-46-32(41)43/h2-5,10,15-17,19,23-24H,6-9,11-14,18,20H2,1H3 QQBBADSFCOGOJH-UHFFFAOYSA-N 50064719 1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-4-trifluoromethyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL71540 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064719&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10556286 103959701 CHEMBL71540 ZINC49816750 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111121 CCCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)ccc[n+]1[O-] InChI=1S/C35H42N4O6/c1-3-7-31-25(9-6-17-38(31)42)23-36-18-15-28(16-19-36)45-29-11-12-30(33(22-29)43-2)34(40)37-20-13-27(14-21-37)39-32-10-5-4-8-26(32)24-44-35(39)41/h4-6,8-12,17,22,27-28H,3,7,13-16,18-21,23-24H2,1-2H3 ZFXYABBFSXSNNG-UHFFFAOYSA-N 50064730 1-(1-{2-Methoxy-4-[1-(1-oxy-2-propyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL69202 Oxytocin receptor Rattus 8.5 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064730&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10603831 103959712 CHEMBL69202 ZINC26281199 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111125 CCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)c(C)cc(C)[n+]1[O-] InChI=1S/C36H44N4O6/c1-5-32-31(24(2)20-25(3)40(32)43)22-37-16-14-28(15-17-37)46-29-10-11-30(34(21-29)44-4)35(41)38-18-12-27(13-19-38)39-33-9-7-6-8-26(33)23-45-36(39)42/h6-11,20-21,27-28H,5,12-19,22-23H2,1-4H3 UMYSZUCCPHMZDA-UHFFFAOYSA-N 50064725 1-(1-{4-[1-(2-Ethyl-4,6-dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL68480 Oxytocin receptor Rattus 8 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064725&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10817776 103959707 CHEMBL68480 ZINC26264004 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111126 COc1cc(OC2CCN(CC2)C(C)c2cccnc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H38N4O5/c1-23(24-7-5-15-34-21-24)35-18-13-27(14-19-35)42-28-9-10-29(31(20-28)40-2)32(38)36-16-11-26(12-17-36)37-30-8-4-3-6-25(30)22-41-33(37)39/h3-10,15,20-21,23,26-27H,11-14,16-19,22H2,1-2H3 KCFRZWANFUYIQH-UHFFFAOYSA-N 50064729 1-(1-{2-Methoxy-4-[1-(1-pyridin-3-yl-ethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL66749 Oxytocin receptor Rattus 53 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064729&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10650710 103959711 CHEMBL66749 ZINC26248423 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111127 COc1cc(OC2CCN(Cc3ccncc3)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C32H36N4O5/c1-39-30-20-27(41-26-12-16-34(17-13-26)21-23-8-14-33-15-9-23)6-7-28(30)31(37)35-18-10-25(11-19-35)36-29-5-3-2-4-24(29)22-40-32(36)38/h2-9,14-15,20,25-26H,10-13,16-19,21-22H2,1H3 MBMFZPKGMUGQHS-UHFFFAOYSA-N 50064732 1-{1-[2-Methoxy-4-(1-pyridin-4-ylmethyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL68978 Oxytocin receptor Rattus 29 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064732&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10840517 103959714 CHEMBL68978 ZINC26274235 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111128 COc1cc(OC2CCN(Cc3c[n+]([O-])ccc3C(F)(F)F)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H35F3N4O6/c1-44-30-18-26(46-25-10-13-37(14-11-25)19-23-20-39(43)17-12-28(23)33(34,35)36)6-7-27(30)31(41)38-15-8-24(9-16-38)40-29-5-3-2-4-22(29)21-45-32(40)42/h2-7,12,17-18,20,24-25H,8-11,13-16,19,21H2,1H3 KIZXSCWJJPXJMB-UHFFFAOYSA-N 50064727 1-(1-{2-Methoxy-4-[1-(1-oxy-4-trifluoromethyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL69265 Oxytocin receptor Rattus 16 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064727&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10699323 103959709 CHEMBL69265 ZINC26282646 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111132 COc1cc(OC2CCN(Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H41FN4O6/c1-22-17-23(2)40(43)24(3)29(22)20-37-13-11-27(12-14-37)46-33-19-32(44-4)28(18-30(33)36)34(41)38-15-9-26(10-16-38)39-31-8-6-5-7-25(31)21-45-35(39)42/h5-8,17-19,26-27H,9-16,20-21H2,1-4H3 SLIWXMSTLWROJA-UHFFFAOYSA-N 50064734 1-(1-{5-Fluoro-2-methoxy-4-[1-(2,4,6-trimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL308673 Oxytocin receptor Rattus 4.1 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064734&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10579886 103959716 CHEMBL308673 ZINC26267814 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111134 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C(F)(F)F)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H34F4N4O6/c1-45-28-18-29(47-24-10-13-38(14-11-24)19-21-6-4-12-40(44)30(21)33(35,36)37)26(34)17-25(28)31(42)39-15-8-23(9-16-39)41-27-7-3-2-5-22(27)20-46-32(41)43/h2-7,12,17-18,23-24H,8-11,13-16,19-20H2,1H3 KWGPENVMHIQXMC-UHFFFAOYSA-N 50064738 1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-2-trifluoromethyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL303700 Oxytocin receptor Rattus 3.2 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064738&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10723001 103959720 CHEMBL303700 ZINC26251986 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111138 COc1cc(OC2CCN(Cc3cccnc3)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C32H36N4O5/c1-39-30-19-27(41-26-12-15-34(16-13-26)21-23-5-4-14-33-20-23)8-9-28(30)31(37)35-17-10-25(11-18-35)36-29-7-3-2-6-24(29)22-40-32(36)38/h2-9,14,19-20,25-26H,10-13,15-18,21-22H2,1H3 ZXKPMCMERGPPGO-UHFFFAOYSA-N 50064731 1-{1-[2-Methoxy-4-(1-pyridin-3-ylmethyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL68914 Oxytocin receptor Rattus 28 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064731&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44308876 103959713 CHEMBL68914 ZINC26280135 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111139 COc1cc(OC2CCN(Cc3ccccc3)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H37N3O5/c1-39-31-21-28(41-27-15-17-34(18-16-27)22-24-7-3-2-4-8-24)11-12-29(31)32(37)35-19-13-26(14-20-35)36-30-10-6-5-9-25(30)23-40-33(36)38/h2-12,21,26-27H,13-20,22-23H2,1H3 PZXNJBACJZRIPC-UHFFFAOYSA-N 50064728 1-{1-[4-(1-Benzyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL304577 Oxytocin receptor Rattus 65 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064728&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10721511 103959710 CHEMBL304577 ZINC26263064 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111142 COc1cc(OC2CCN(CC2)[C@@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m1/s1 XMCRJVIWAZBDSM-SSEXGKCCSA-N 50064740 1-(1-{5-Fluoro-2-methoxy-4-[1-((R)-1-oxy-5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL265070 Oxytocin receptor Rattus 16 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064740&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10675477 103959722 CHEMBL265070 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111145 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H37FN4O6/c1-22-23(7-5-13-37(22)41)20-35-14-11-26(12-15-35)44-31-19-30(42-2)27(18-28(31)34)32(39)36-16-9-25(10-17-36)38-29-8-4-3-6-24(29)21-43-33(38)40/h3-8,13,18-19,25-26H,9-12,14-17,20-21H2,1-2H3 WGXJHFJKJUSPCF-UHFFFAOYSA-N 50064733 1-(1-{5-Fluoro-2-methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL306416 Oxytocin receptor Rattus 5.1 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064733&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10531717 103959715 CHEMBL306416 ZINC26281644 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111146 CCc1c(CN2CCC(CC2)Oc2ccc(C(=O)N3CCC(CC3)N3C(=O)OCc4ccccc34)c(OC)c2)ccc[n+]1[O-] InChI=1S/C34H40N4O6/c1-3-30-24(8-6-16-37(30)41)22-35-17-14-27(15-18-35)44-28-10-11-29(32(21-28)42-2)33(39)36-19-12-26(13-20-36)38-31-9-5-4-7-25(31)23-43-34(38)40/h4-11,16,21,26-27H,3,12-15,17-20,22-23H2,1-2H3 LVQUZJFEXPYANX-UHFFFAOYSA-N 50064737 1-(1-{4-[1-(2-Ethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL66240 Oxytocin receptor Rattus 11 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064737&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10507800 103959719 CHEMBL66240 ZINC26264790 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111147 COc1cc(OC2CCN(CC2)[C@H]2CCCc3c2ccc[n+]3[O-])c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C35H39FN4O6/c1-44-32-21-33(46-25-13-18-37(19-14-25)30-9-4-10-31-26(30)7-5-15-39(31)43)28(36)20-27(32)34(41)38-16-11-24(12-17-38)40-29-8-3-2-6-23(29)22-45-35(40)42/h2-3,5-8,15,20-21,24-25,30H,4,9-14,16-19,22H2,1H3/t30-/m0/s1 XMCRJVIWAZBDSM-PMERELPUSA-N 50064736 1-(1-{5-Fluoro-2-methoxy-4-[1-((S)-1-oxy-5,6,7,8-tetrahydro-quinolin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL68800 Oxytocin receptor Rattus 8.5 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064736&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10675476 103959718 CHEMBL68800 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50111151 COc1cc(OC2CCN(Cc3c(C)cc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C34H40N4O6/c1-23-10-19-37(41)24(2)30(23)21-35-15-13-27(14-16-35)44-28-8-9-29(32(20-28)42-3)33(39)36-17-11-26(12-18-36)38-31-7-5-4-6-25(31)22-43-34(38)40/h4-10,19-20,26-27H,11-18,21-22H2,1-3H3 DECUNECFRZAJTC-UHFFFAOYSA-N 50064735 1-(1-{4-[1-(2,4-Dimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-2-methoxy-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL302297 Oxytocin receptor Rattus 4.3 ChEMBL 10.1021/jm9800797 10.7270/Q2SN083Z 9622556 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064735&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10555563 103959717 CHEMBL302297 ZINC26266691 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50125065 COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C29H30N2O5/c1-20(21-8-4-3-5-9-21)36-24-12-13-25(27(18-24)34-2)28(32)30-16-14-23(15-17-30)31-26-11-7-6-10-22(26)19-35-29(31)33/h3-13,18,20,23H,14-17,19H2,1-2H3 SEQLKNFXPQACMA-UHFFFAOYSA-N 50072360 1-{1-[2-Methoxy-4-(1-phenyl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL102994 Oxytocin receptor Rattus 44 ChEMBL 10.1016/S0960-894X(98)00568-X 10.7270/Q298865X 9873680 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072360&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44335300 103965996 CHEMBL102994 ZINC26824788 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50125069 COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3 WDERJSQJYIJOPD-UHFFFAOYSA-N 50029649 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one::1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24781::L-371257 Oxytocin receptor Rattus 19 ChEMBL 10.1016/S0960-894X(98)00568-X 10.7270/Q298865X 9873680 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029649&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918320 103938699 CHEMBL24781 2252 ZINC03824080 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50125074 COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H29N3O5/c1-19(20-7-5-13-29-17-20)36-23-9-10-24(26(16-23)34-2)27(32)30-14-11-22(12-15-30)31-25-8-4-3-6-21(25)18-35-28(31)33/h3-10,13,16-17,19,22H,11-12,14-15,18H2,1-2H3 GYIPLZXDPSSLOV-UHFFFAOYSA-N 50072367 1-{1-[2-Methoxy-4-(1-pyridin-3-yl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL105406 Oxytocin receptor Rattus 12 ChEMBL 10.1016/S0960-894X(98)00568-X 10.7270/Q298865X 9873680 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072367&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10005688 103966003 CHEMBL105406 ZINC26830362 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50125076 COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H28FN3O6/c1-18(19-7-13-31(35)14-8-19)38-26-16-25(36-2)22(15-23(26)29)27(33)30-11-9-21(10-12-30)32-24-6-4-3-5-20(24)17-37-28(32)34/h3-8,13-16,18,21H,9-12,17H2,1-2H3/t18-/m1/s1 CDEVBWPFXJVAJS-GOSISDBHSA-N 50072365 1-(1-{5-Fluoro-2-methoxy-4-[(R)-1-(1-oxy-pyridin-4-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL105514 Oxytocin receptor Rattus 9.9 ChEMBL 10.1016/S0960-894X(98)00568-X 10.7270/Q298865X 9873680 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072365&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11756466 103966001 CHEMBL105514 ZINC26833131 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50125080 COc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1 InChI=1S/C22H24N2O5/c1-27-17-7-8-18(20(13-17)28-2)21(25)23-11-9-16(10-12-23)24-19-6-4-3-5-15(19)14-29-22(24)26/h3-8,13,16H,9-12,14H2,1-2H3 OFUQHYVLBCLSMB-UHFFFAOYSA-N 50072368 1-[1-(2,4-Dimethoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL27157 Oxytocin receptor Rattus 120 ChEMBL 10.1016/S0960-894X(98)00568-X 10.7270/Q298865X 9873680 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072368&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275618 103966004 CHEMBL27157 ZINC28760659 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134373 CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1 InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3 VGSQHYIAUDIJTE-UHFFFAOYSA-N 50077032 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24526 Oxytocin receptor Rattus 0.710000 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077032&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9938406 103969871 CHEMBL24526 ZINC03922467 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134379 COc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1 InChI=1S/C22H24N2O5/c1-27-17-7-8-18(20(13-17)28-2)21(25)23-11-9-16(10-12-23)24-19-6-4-3-5-15(19)14-29-22(24)26/h3-8,13,16H,9-12,14H2,1-2H3 OFUQHYVLBCLSMB-UHFFFAOYSA-N 50072368 1-[1-(2,4-Dimethoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL27157 Oxytocin receptor Rattus 120 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072368&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275618 103966004 CHEMBL27157 ZINC28760659 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134380 FC(F)(F)COc1ccccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C23H23F3N2O4/c24-23(25,26)15-32-20-8-4-2-5-16(20)13-21(29)27-11-9-18(10-12-27)28-19-7-3-1-6-17(19)14-31-22(28)30/h1-8,18H,9-15H2 LPORDOXFUPBWBR-UHFFFAOYSA-N 50077034 1-(1-{2-[2-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL25120 Oxytocin receptor Rattus 6 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077034&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15840433 103969873 CHEMBL25120 ZINC28759631 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134381 CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cc1 InChI=1S/C28H33N3O5/c1-20(32)29-16-12-25(13-17-29)36-24-8-6-21(7-9-24)18-27(33)30-14-10-23(11-15-30)31-26-5-3-2-4-22(26)19-35-28(31)34/h2-9,23,25H,10-19H2,1H3 XVTZJMFTGQFVOL-UHFFFAOYSA-N 50077033 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL25502 Oxytocin receptor Rattus 1600 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077033&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275210 103969872 CHEMBL25502 ZINC28759105 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134384 COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1 InChI=1S/C23H26N2O5/c1-28-19-8-7-16(21(14-19)29-2)13-22(26)24-11-9-18(10-12-24)25-20-6-4-3-5-17(20)15-30-23(25)27/h3-8,14,18H,9-13,15H2,1-2H3 PFBDPKQLEODGQE-UHFFFAOYSA-N 50077038 1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL26877 Oxytocin receptor Rattus 37 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077038&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275617 103969877 CHEMBL26877 ZINC28760978 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134386 FC(F)(F)COc1cc(OCCN2CCOCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C29H34F3N3O6/c30-29(31,32)20-41-26-18-24(39-16-13-33-11-14-38-15-12-33)6-5-21(26)17-27(36)34-9-7-23(8-10-34)35-25-4-2-1-3-22(25)19-40-28(35)37/h1-6,18,23H,7-17,19-20H2 KZFFKTOTKBALES-UHFFFAOYSA-N 50077037 1-(1-{2-[4-(2-Morpholin-4-yl-ethoxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL278818 Oxytocin receptor Rattus 2.1 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077037&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 18700187 103969876 CHEMBL278818 ZINC28758704 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134387 FC(F)(F)COc1cc(ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)N1CCOCC1 InChI=1S/C27H30F3N3O5/c28-27(29,30)18-38-24-16-22(31-11-13-36-14-12-31)6-5-19(24)15-25(34)32-9-7-21(8-10-32)33-23-4-2-1-3-20(23)17-37-26(33)35/h1-6,16,21H,7-15,17-18H2 ILWNLFNLQHLIQK-UHFFFAOYSA-N 50077035 1-(1-{2-[4-Morpholin-4-yl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL25353 Oxytocin receptor Rattus 0.600000 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077035&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 18700180 103969874 CHEMBL25353 ZINC28759621 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134388 CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC(F)(F)F)c1 InChI=1S/C29H32F3N3O6/c1-19(36)33-14-10-23(11-15-33)40-24-7-6-20(26(17-24)41-29(30,31)32)16-27(37)34-12-8-22(9-13-34)35-25-5-3-2-4-21(25)18-39-28(35)38/h2-7,17,22-23H,8-16,18H2,1H3 NIABKVAPFOJEDI-UHFFFAOYSA-N 50077039 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-trifluoromethoxy-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24682 Oxytocin receptor Rattus 2.8 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077039&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 18700090 103969878 CHEMBL24682 ZINC28760741 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134389 COc1cc(OC2CCN(CC2)C(C)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C29H35N3O6/c1-20(33)30-15-11-24(12-16-30)38-25-8-7-21(27(18-25)36-2)17-28(34)31-13-9-23(10-14-31)32-26-6-4-3-5-22(26)19-37-29(32)35/h3-8,18,23-24H,9-17,19H2,1-2H3 SZPAYMFRPIIMTR-UHFFFAOYSA-N 50077040 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL279230 Oxytocin receptor Rattus 36 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077040&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275233 103969879 CHEMBL279230 ZINC28759154 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134394 COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3 WDERJSQJYIJOPD-UHFFFAOYSA-N 50029649 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one::1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24781::L-371257 Oxytocin receptor Rattus 19 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029649&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918320 103938699 CHEMBL24781 2252 ZINC03824080 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134395 COc1ccc(CCC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1 InChI=1S/C24H28N2O5/c1-29-20-9-7-17(22(15-20)30-2)8-10-23(27)25-13-11-19(12-14-25)26-21-6-4-3-5-18(21)16-31-24(26)28/h3-7,9,15,19H,8,10-14,16H2,1-2H3 NDSBGAGYPKLWDO-UHFFFAOYSA-N 50077036 1-{1-[3-(2,4-Dimethoxy-phenyl)-propionyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL25611 Oxytocin receptor Rattus 520 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077036&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44275244 103969875 CHEMBL25611 ZINC28759433 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50134396 FC(F)(F)COc1cc(OC2CCN(CC3CC3)CC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2 FESJTQVJBDVIDG-UHFFFAOYSA-N 50077041 1-(1-{2-[4-(1-Cyclopropylmethyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24456 Oxytocin receptor Rattus 1.2 ChEMBL 10.1016/s0960-894x(99)00181-x 10.7270/Q23N22K9 10340620 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50077041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50077041&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15840423 103969880 CHEMBL24456 ZINC28759018 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50155296 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C48H75N11O12S2/c1-10-25(4)38-44(70)54-28(15-18-34(49)61)40(66)55-31(21-35(50)62)42(68)58-45(72-73-48(8,9)22-37(64)53-30(41(67)57-38)20-26-11-13-27(60)14-12-26)46(71)59-32(16-17-33(59)47(5,6)7)43(69)56-29(19-24(2)3)39(65)52-23-36(51)63/h11-14,24-25,28-33,38,45,60H,10,15-23H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t25-,28-,29-,30-,31-,32?,33?,38-,45-/m0/s1 GZVXRXZSXCQVFT-ICGPGVHZSA-N 50087282 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(tert-butyl)-1-[11-(sec-butyl)-14-(2-carbamoylethyl)-17-carbamoylmethyl-8-(4-hydroxybenzyl)-4,4-dimethyl-6,9,12,15,18-pentaoxo-2,3-dithia-7,10,13,16,19-pentaazacyclononadecanylcarbonyl]tetrahydro-1::CHEMBL263355 Oxytocin receptor Rattus 170 ChEMBL 10.1021/jm990090m 10.7270/Q22V2FCX 10780900 Belec, L; Slaninova, J; Lubell, WD Université de Montréal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50087282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50087282&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44282754 103986354 CHEMBL263355 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50155297 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C47H73N11O12S2/c1-8-25(4)39-45(69)53-28(13-16-35(48)60)41(65)54-31(21-36(49)61)42(66)56-32(23-72-71-18-17-38(63)52-30(43(67)57-39)20-26-9-11-27(59)12-10-26)46(70)58-33(14-15-34(58)47(5,6)7)44(68)55-29(19-24(2)3)40(64)51-22-37(50)62/h9-12,24-25,28-34,39,59H,8,13-23H2,1-7H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,63)(H,53,69)(H,54,65)(H,55,68)(H,56,66)(H,57,67)/t25-,28-,29-,30-,31-,32-,33?,34?,39-/m0/s1 RRGCXYHMINAFBV-KJASTCHUSA-N 50087278 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(tert-butyl)-1-[12-(sec-butyl)-15-(2-carbamoylethyl)-18-carbamoylmethyl-9-(4-hydroxybenzyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosanylcarbonyl]tetrahydro-1H-2-pyrroleca::CHEMBL263219 Oxytocin receptor Rattus 240 ChEMBL 10.1021/jm990090m 10.7270/Q22V2FCX 10780900 Belec, L; Slaninova, J; Lubell, WD Université de Montréal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50087278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50087278&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44282755 103986350 CHEMBL263219 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50155298 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C47H74N12O12S2/c1-8-24(4)38-45(70)53-28(13-16-35(49)61)41(66)55-31(19-36(50)62)42(67)57-32(22-73-72-21-27(48)39(64)54-30(43(68)58-38)18-25-9-11-26(60)12-10-25)46(71)59-33(14-15-34(59)47(5,6)7)44(69)56-29(17-23(2)3)40(65)52-20-37(51)63/h9-12,23-24,27-34,38,60H,8,13-22,48H2,1-7H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,70)(H,54,64)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t24-,27+,28-,29-,30-,31-,32-,33-,34+,38-/m0/s1 BQAIZCWVMPMKDN-GEYUUAIJSA-N 50087281 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6-amino-12-(sec-butyl)-15-(2-carbamoylethyl)-18-carbamoylmethyl-9-(4-hydroxybenzyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosanylcarbonyl]-5-(tert-butyl)tetrahydro-1H-2-p::CHEMBL429161 Oxytocin receptor Rattus 1430 ChEMBL 10.1021/jm990090m 10.7270/Q22V2FCX 10780900 Belec, L; Slaninova, J; Lubell, WD Université de Montréal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50087281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50087281&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44282365 103986353 CHEMBL429161 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50155299 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C44H67N11O12S2/c1-7-23(4)35-41(66)50-26(14-15-31(45)57)37(62)51-29(19-32(46)58)39(64)54-42(43(67)55-16-8-9-30(55)40(65)52-27(17-22(2)3)36(61)48-21-33(47)59)68-69-44(5,6)20-34(60)49-28(38(63)53-35)18-24-10-12-25(56)13-11-24/h10-13,22-23,26-30,35,42,56H,7-9,14-21H2,1-6H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30?,35-,42-/m0/s1 CVYSBZWSZZLSON-LKXXDCACSA-N 50087280 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[11-(sec-butyl)-14-(2-carbamoylethyl)-17-carbamoylmethyl-8-(4-hydroxybenzyl)-4,4-dimethyl-6,9,12,15,18-pentaoxo-2,3-dithia-7,10,13,16,19-pentaazacyclononadecanylcarbonyl]tetrahydro-1H-2-pyrrolecarbo::CHEMBL291005 Oxytocin receptor Rattus 540 ChEMBL 10.1021/jm990090m 10.7270/Q22V2FCX 10780900 Belec, L; Slaninova, J; Lubell, WD Université de Montréal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50087280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50087280&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44282753 103986352 CHEMBL291005 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50204839 FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 InChI=1S/C31H27F3N4O6/c32-31(33,34)22-6-8-28(40)37(16-22)17-27(39)35-15-24-14-21-13-19(5-7-26(21)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-20(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39) IPCCGVSSQPPAAN-UHFFFAOYSA-N 50113050 CHEMBL31065::N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidine-1-carbonyl]-benzofuran-2-ylmethyl}-2-(2-oxo-5-trifluoromethyl-2H-pyridin-1-yl)-acetamide Oxytocin receptor Rattus 3040 ChEMBL 10.1016/s0960-894x(02)00160-9 10.7270/Q2C24VRF 11992787 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113050&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10416272 104007401 CHEMBL31065 ZINC29211379 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50204840 COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3 WDERJSQJYIJOPD-UHFFFAOYSA-N 50029649 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one::1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24781::L-371257 Oxytocin receptor Rattus 640 ChEMBL 10.1016/s0960-894x(02)00160-9 10.7270/Q2C24VRF 11992787 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029649&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918320 103938699 CHEMBL24781 2252 ZINC03824080 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50204841 FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(cnc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 InChI=1S/C30H26F3N5O6/c31-30(32,33)21-5-6-26(40)37(15-21)16-25(39)34-14-23-12-19-11-20(13-35-27(19)44-23)28(41)36-9-7-22(8-10-36)38-24-4-2-1-3-18(24)17-43-29(38)42/h1-6,11-13,15,22H,7-10,14,16-17H2,(H,34,39) ROEAPZSMMPTWAR-UHFFFAOYSA-N 50113051 CHEMBL284442::N-{5-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidine-1-carbonyl]-furo[2,3-b]pyridin-2-ylmethyl}-2-(2-oxo-5-trifluoromethyl-2H-pyridin-1-yl)-acetamide Oxytocin receptor Rattus 744 ChEMBL 10.1016/s0960-894x(02)00160-9 10.7270/Q2C24VRF 11992787 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113051&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11758421 104007402 CHEMBL284442 ZINC29213395 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465975 COc1c(ccc2Oc3c(OC(=O)c12)cc(C)cc3C=O)[C@H](CC(C)C)OC(C)=O InChI=1S/C23H24O7/c1-12(2)8-18(28-14(4)25)16-6-7-17-20(22(16)27-5)23(26)30-19-10-13(3)9-15(11-24)21(19)29-17/h6-7,9-12,18H,8H2,1-5H3/t18-/m0/s1 HJDPEVGPDIRXSL-SFHVURJKSA-N 50281509 Acetic acid (S)-1-(6-formyl-1-methoxy-8-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-2-yl)-3-methyl-butyl ester::CHEMBL326142 Oxytocin receptor Rattus >100000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281509&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44342325 104123183 CHEMBL326142 ZINC27079321 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465976 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)C(=O)CC(C)C InChI=1S/C21H22O6/c1-11(2)7-15(22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-8-12(3)9-16(23)19(13)27-17/h5-6,8-9,11,23H,7,10H2,1-4H3 UVHQGKWLSWQZGK-UHFFFAOYSA-N 50281510 11-Hydroxy-4-methoxy-9-methyl-3-(3-methyl-butyryl)-7H-6,12-dioxa-dibenzo[a,d]cycloocten-5-one::CHEMBL117045 Oxytocin receptor Rattus >100000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281510&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15703807 104123184 CHEMBL117045 ZINC27091731 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465977 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1 NUYFKDBCHFKOBT-IBGZPJMESA-N 50281511 Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester::CHEMBL116226 Oxytocin receptor Rattus 8400 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281511&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10341722 104123185 65444 CHEMBL116226 ZINC06070257 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465979 COc1c(ccc2Oc3c(COC(=O)c12)cc(C)cc3OC(C)=O)[C@H](CC(C)C)OC(C)=O InChI=1S/C25H28O8/c1-13(2)9-20(31-15(4)26)18-7-8-19-22(24(18)29-6)25(28)30-12-17-10-14(3)11-21(23(17)33-19)32-16(5)27/h7-8,10-11,13,20H,9,12H2,1-6H3/t20-/m0/s1 CKZIYLVZONHALO-FQEVSTJZSA-N 50281513 Acetic acid 9-((S)-1-acetoxy-3-methyl-butyl)-8-methoxy-3-methyl-7-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-1-yl ester::CHEMBL115277 Oxytocin receptor Rattus 5000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281513&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44342185 104123187 CHEMBL115277 ZINC13901668 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465980 COc1cc(C)cc2COC(=O)c3c(Oc12)ccc([C@@H](O)CC(C)C)c3OC InChI=1S/C22H26O6/c1-12(2)8-16(23)15-6-7-17-19(21(15)26-5)22(24)27-11-14-9-13(3)10-18(25-4)20(14)28-17/h6-7,9-10,12,16,23H,8,11H2,1-5H3/t16-/m0/s1 GQDGZJROZVGMME-INIZCTEOSA-N 50281514 3-((S)-1-Hydroxy-3-methyl-butyl)-4,11-dimethoxy-9-methyl-7H-6,12-dioxa-dibenzo[a,d]cycloocten-5-one::CHEMBL331591 Oxytocin receptor Rattus >100000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281514&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15694370 104123188 CHEMBL331591 ZINC13892716 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465981 COc1cc(C)cc2COC(=O)c3c(Oc12)ccc([C@H](CC(C)C)OC(C)=O)c3OC InChI=1S/C24H28O7/c1-13(2)9-19(30-15(4)25)17-7-8-18-21(23(17)28-6)24(26)29-12-16-10-14(3)11-20(27-5)22(16)31-18/h7-8,10-11,13,19H,9,12H2,1-6H3/t19-/m0/s1 KCGSFIODCSTCQI-IBGZPJMESA-N 50281512 Acetic acid (S)-1-(4,11-dimethoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester::CHEMBL326085 Oxytocin receptor Rattus 21000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50281512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50281512&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44342196 104123186 CHEMBL326085 ZINC13901670 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50465983 COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@@H](O)CC(C)C InChI=1S/C21H24O6/c1-11(2)7-15(22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-8-12(3)9-16(23)19(13)27-17/h5-6,8-9,11,15,22-23H,7,10H2,1-4H3/t15-/m0/s1 UOWGLBYIKHMCIS-HNNXBMFYSA-N 50167286 11-Hydroxy-3-((S)-1-hydroxy-3-methyl-butyl)-4-methoxy-9-methyl-7H-6,12-dioxa-dibenzo[a,d]cycloocten-5-one::CHEMBL325752 Oxytocin receptor Rattus 67000 ChEMBL 10.1016/S0960-894X(01)80905-7 10.7270/Q28052J0 Salituro, GM; Pettibone, DJ; Clineschmidt, BV; Williamson, JM; Zink, DL TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167286&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 124213 104052560 65443 CHEMBL325752 ZINC06070256 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473733 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](O)C1=O InChI=1S/C27H36N2O5S/c1-25(2)19-8-10-27(25,22(15-19)29-23(31)16-21(30)24(29)32)17-35(33,34)28-13-11-26(12-14-28)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22,30H,7-17H2,1-2H3/t19?,21-,22+,27-/m1/s1 WQSZIJNHVPYRCY-WJEHHUOBSA-N 50285292 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-hydroxy-(3R)-tetrahydro-1H-2,5-pyrroledione::CHEMBL283524 Oxytocin receptor Rattus 17 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285292&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273369 104126863 CHEMBL283524 ZINC28227442 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473735 CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C31H45N3O4S/c1-5-32(6-2)25-20-27(35)34(28(25)36)26-19-23-12-14-31(26,29(23,3)4)21-39(37,38)33-17-15-30(16-18-33)13-11-22-9-7-8-10-24(22)30/h7-10,23,25-26H,5-6,11-21H2,1-4H3/t23?,25-,26-,31+/m0/s1 ROIAQVJIJMZSSX-KOPLZXMFSA-N 50285294 3-diethylamino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3S)-tetrahydro-1H-2,5-pyrroledione::CHEMBL283317 Oxytocin receptor Rattus 150 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285294&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273417 104126865 CHEMBL283317 ZINC28227148 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473738 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C=CC1=O InChI=1S/C27H34N2O4S/c1-25(2)20-10-12-27(25,22(17-20)29-23(30)7-8-24(29)31)18-34(32,33)28-15-13-26(14-16-28)11-9-19-5-3-4-6-21(19)26/h3-8,20,22H,9-18H2,1-2H3/t20?,22-,27+/m0/s1 WOXTULNHNGBGSH-YBRGPARMSA-N 50285296 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-2,5-dihydro-1H-2,5-pyrroledione::CHEMBL20205 Oxytocin receptor Rattus 240 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285296&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273459 104126867 CHEMBL20205 ZINC28229268 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473741 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](O)C1=O InChI=1S/C27H36N2O5S/c1-25(2)19-8-10-27(25,22(15-19)29-23(31)16-21(30)24(29)32)17-35(33,34)28-13-11-26(12-14-28)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22,30H,7-17H2,1-2H3/t19?,21-,22-,27+/m0/s1 WQSZIJNHVPYRCY-ZLBHQKHFSA-N 50285299 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-hydroxy-(3S)-tetrahydro-1H-2,5-pyrroledione::CHEMBL283994 Oxytocin receptor Rattus 20 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285299&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44272990 104126870 CHEMBL283994 ZINC28227442 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473748 CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C29H38N2O6S/c1-19(32)37-23-17-25(33)31(26(23)34)24-16-21-9-11-29(24,27(21,2)3)18-38(35,36)30-14-12-28(13-15-30)10-8-20-6-4-5-7-22(20)28/h4-7,21,23-24H,8-18H2,1-3H3/t21?,23?,24-,29+/m0/s1 WABPNYOPWPTKTM-ZIJMMUQSSA-N 50285291 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolyl acetate::CHEMBL20002 Oxytocin receptor Rattus 25 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285291&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273473 104126862 CHEMBL20002 ZINC28229779 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473757 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1 VQAVBHLGXVZOKM-RASJMTDNSA-N 50043194 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL338522 Oxytocin receptor Rattus 52 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043194&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10413997 103974665 CHEMBL338522 2246 ZINC03777438 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473762 CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C30H43N3O5S/c1-28(2)22-9-11-30(28,25(18-22)33-26(35)19-24(27(33)36)31(3)16-17-34)20-39(37,38)32-14-12-29(13-15-32)10-8-21-6-4-5-7-23(21)29/h4-7,22,24-25,34H,8-20H2,1-3H3/t22?,24?,25-,30+/m0/s1 XPCYGKNGEFHXCZ-UKGGWICRSA-N 50285298 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-[2-hydroxyethyl(methyl)amino]tetrahydro-1H-2,5-pyrroledione::CHEMBL20171 Oxytocin receptor Rattus 20 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285298&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273259 104126869 CHEMBL20171 ZINC36348398 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473766 CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C31H45N3O4S2/c1-29(2)23-10-12-31(29,26(19-23)34-27(35)20-25(28(34)36)39-18-17-32(3)4)21-40(37,38)33-15-13-30(14-16-33)11-9-22-7-5-6-8-24(22)30/h5-8,23,25-26H,9-21H2,1-4H3/t23?,25?,26-,31+/m0/s1 TYMRKMAJBYJTEE-PWUBUQNJSA-N 50285304 3-(2-dimethylaminoethylsulfanyl)-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione::CHEMBL20319 Oxytocin receptor Rattus 20 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285304&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273355 104126875 CHEMBL20319 ZINC28230642 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473767 CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C31H46N4O4S/c1-29(2)23-10-12-31(29,26(19-23)35-27(36)20-25(28(35)37)32-15-18-33(3)4)21-40(38,39)34-16-13-30(14-17-34)11-9-22-7-5-6-8-24(22)30/h5-8,23,25-26,32H,9-21H2,1-4H3/t23?,25?,26-,31+/m0/s1 COMZNWYUZVTMOW-PWUBUQNJSA-N 50285303 3-(2-dimethylaminoethylamino)-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione::CHEMBL417458 Oxytocin receptor Rattus 18 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285303&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273346 104126874 CHEMBL417458 ZINC28230914 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473768 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCC(O)=O)C1=O InChI=1S/C29H39N3O6S/c1-27(2)20-8-10-29(27,23(15-20)32-24(33)16-22(26(32)36)30-17-25(34)35)18-39(37,38)31-13-11-28(12-14-31)9-7-19-5-3-4-6-21(19)28/h3-6,20,22-23,30H,7-18H2,1-2H3,(H,34,35)/t20?,22?,23-,29+/m0/s1 HFVIDAPKPRNJMA-XZYVEEPOSA-N 50285309 2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolylamino}acetic acid::CHEMBL280356 Oxytocin receptor Rattus 44 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285309&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273034 104126880 CHEMBL280356 ZINC28227783 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473769 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCCO)C1=O InChI=1S/C29H41N3O5S/c1-27(2)21-8-10-29(27,24(17-21)32-25(34)18-23(26(32)35)30-13-16-33)19-38(36,37)31-14-11-28(12-15-31)9-7-20-5-3-4-6-22(20)28/h3-6,21,23-24,30,33H,7-19H2,1-2H3/t21?,23?,24-,29+/m0/s1 YVPLEKKFJVTDEX-ZIJMMUQSSA-N 50285295 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-(2-hydroxyethylamino)tetrahydro-1H-2,5-pyrroledione::CHEMBL283126 Oxytocin receptor Rattus 9 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285295&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273013 104126866 CHEMBL283126 ZINC28228050 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473770 C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C30H43N3O5S/c1-20(34)18-31-24-17-26(35)33(27(24)36)25-16-22-9-11-30(25,28(22,2)3)19-39(37,38)32-14-12-29(13-15-32)10-8-21-6-4-5-7-23(21)29/h4-7,20,22,24-25,31,34H,8-19H2,1-3H3/t20-,22?,24?,25+,30-/m1/s1 KNYQGXSYPIRBIP-XATHEHHXSA-N 50285293 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-[2-hydroxy-(2R)-propylamino]tetrahydro-1H-2,5-pyrroledione::CHEMBL279281 Oxytocin receptor Rattus 10 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285293&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273425 104126864 CHEMBL279281 ZINC28230981 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473771 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](NCc2ccccc2)C1=O InChI=1S/C34H43N3O4S/c1-32(2)26-13-15-34(32,29(20-26)37-30(38)21-28(31(37)39)35-22-24-8-4-3-5-9-24)23-42(40,41)36-18-16-33(17-19-36)14-12-25-10-6-7-11-27(25)33/h3-11,26,28-29,35H,12-23H2,1-2H3/t26?,28-,29-,34+/m0/s1 JOVKHEYTKHUNSK-YWQDGQPLSA-N 50285305 3-benzylamino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3S)-tetrahydro-1H-2,5-pyrroledione::CHEMBL281361 Oxytocin receptor Rattus 200 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285305&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273077 104126876 CHEMBL281361 ZINC28228213 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473779 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](N)C1=O InChI=1S/C27H37N3O4S/c1-25(2)19-8-10-27(25,22(15-19)30-23(31)16-21(28)24(30)32)17-35(33,34)29-13-11-26(12-14-29)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17,28H2,1-2H3/t19?,21-,22-,27+/m0/s1 HZOFQKPYJBCUGC-ZLBHQKHFSA-N 50285308 3-amino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3S)-tetrahydro-1H-2,5-pyrroledione::CHEMBL19658 Oxytocin receptor Rattus 7 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285308&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44272997 104126879 CHEMBL19658 ZINC28226840 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473780 CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C31H45N3O4S/c1-5-32(6-2)25-20-27(35)34(28(25)36)26-19-23-12-14-31(26,29(23,3)4)21-39(37,38)33-17-15-30(16-18-33)13-11-22-9-7-8-10-24(22)30/h7-10,23,25-26H,5-6,11-21H2,1-4H3/t23?,25-,26+,31-/m1/s1 ROIAQVJIJMZSSX-PSDIUHPYSA-N 50285301 3-diethylamino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3R)-tetrahydro-1H-2,5-pyrroledione::CHEMBL280202 Oxytocin receptor Rattus 124 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285301&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273173 104126872 CHEMBL280202 ZINC28227148 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473781 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCCN)C1=O InChI=1S/C29H42N4O4S/c1-27(2)21-8-10-29(27,24(17-21)33-25(34)18-23(26(33)35)31-14-13-30)19-38(36,37)32-15-11-28(12-16-32)9-7-20-5-3-4-6-22(20)28/h3-6,21,23-24,31H,7-19,30H2,1-2H3/t21?,23?,24-,29+/m0/s1 OZTFFQVJDLJIMV-ZIJMMUQSSA-N 50285306 3-(2-aminoethylamino)-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione::CHEMBL429971 Oxytocin receptor Rattus 40 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285306&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273321 104126877 CHEMBL429971 ZINC28228884 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473782 COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C30H41N3O6S/c1-28(2)21-9-11-30(28,24(16-21)33-25(34)17-23(27(33)36)31-18-26(35)39-3)19-40(37,38)32-14-12-29(13-15-32)10-8-20-6-4-5-7-22(20)29/h4-7,21,23-24,31H,8-19H2,1-3H3/t21?,23?,24-,30+/m0/s1 HLIODYUQUXQMIR-GHKHIRBOSA-N 50285310 CHEMBL277022::methyl 2-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolylamino}acetate Oxytocin receptor Rattus 13 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285310&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273080 104126881 CHEMBL277022 ZINC28226294 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473785 CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C32H48N4O4S/c1-30(2)24-11-13-32(30,27(20-24)36-28(37)21-26(29(36)38)33-16-7-17-34(3)4)22-41(39,40)35-18-14-31(15-19-35)12-10-23-8-5-6-9-25(23)31/h5-6,8-9,24,26-27,33H,7,10-22H2,1-4H3/t24?,26?,27-,32+/m0/s1 ZHPPDUIKQXCRCG-FKQOHGIASA-N 50285302 3-(3-dimethylaminopropylamino)-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione::CHEMBL278377 Oxytocin receptor Rattus 15 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285302&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273368 104126873 CHEMBL278377 ZINC28228547 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473786 C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C30H43N3O5S/c1-20(18-34)31-24-17-26(35)33(27(24)36)25-16-22-9-11-30(25,28(22,2)3)19-39(37,38)32-14-12-29(13-15-32)10-8-21-6-4-5-7-23(21)29/h4-7,20,22,24-25,31,34H,8-19H2,1-3H3/t20-,22?,24?,25+,30-/m1/s1 LJTXIIWEVACSSL-XATHEHHXSA-N 50285311 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-[2-hydroxy-1-methyl-(1R)-ethylamino]tetrahydro-1H-2,5-pyrroledione::CHEMBL20757 Oxytocin receptor Rattus 20 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285311&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273426 104126882 CHEMBL20757 ZINC28230987 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473788 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](N)C1=O InChI=1S/C27H37N3O4S/c1-25(2)19-8-10-27(25,22(15-19)30-23(31)16-21(28)24(30)32)17-35(33,34)29-13-11-26(12-14-29)9-7-18-5-3-4-6-20(18)26/h3-6,19,21-22H,7-17,28H2,1-2H3/t19?,21-,22+,27-/m1/s1 HZOFQKPYJBCUGC-WJEHHUOBSA-N 50285307 3-amino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3R)-tetrahydro-1H-2,5-pyrroledione::CHEMBL276990 Oxytocin receptor Rattus 12 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285307&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9805972 104126878 CHEMBL276990 ZINC28226840 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473791 CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](NCc2ccccc2)C1=O InChI=1S/C34H43N3O4S/c1-32(2)26-13-15-34(32,29(20-26)37-30(38)21-28(31(37)39)35-22-24-8-4-3-5-9-24)23-42(40,41)36-18-16-33(17-19-36)14-12-25-10-6-7-11-27(25)33/h3-11,26,28-29,35H,12-23H2,1-2H3/t26?,28-,29+,34-/m1/s1 JOVKHEYTKHUNSK-BLWGRMDVSA-N 50285300 3-benzylamino-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-(3R)-tetrahydro-1H-2,5-pyrroledione::CHEMBL279022 Oxytocin receptor Rattus 64 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285300&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44273316 104126871 CHEMBL279022 ZINC28228213 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50473796 CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O InChI=1S/C29H41N3O4S/c1-4-30-23-18-25(33)32(26(23)34)24-17-21-10-12-29(24,27(21,2)3)19-37(35,36)31-15-13-28(14-16-31)11-9-20-7-5-6-8-22(20)28/h5-8,21,23-24,30H,4,9-19H2,1-3H3/t21?,23?,24-,29+/m0/s1 WQYLWNQAMGCVOP-ZIJMMUQSSA-N 50285297 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]-3-ethylaminotetrahydro-1H-2,5-pyrroledione::CHEMBL20126 Oxytocin receptor Rattus 32 ChEMBL 10.1016/0960-894X(94)00469-V 10.7270/Q2QF8STX Hobbs, DW; Gould, NP; Hoffman, JB; Clineschmidt, BV; Pettibone, DJ; Veber, DF; Freidinger, RM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285297&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44272960 104126868 CHEMBL20126 ZINC28227859 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599216 CCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(c1)[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc12 InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1 UENRBNCNIZQNTR-XIFFEERXSA-N 50326716 (R)-4-chloro-3-(5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxoindolin-3-yl)-N-ethyl-N-(pyridin-3-ylmethyl)benzamide hydrochloride::CHEMBL1253499 Oxytocin receptor Rattus 1.6 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326716&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10461270 123105831 CHEMBL1253499 ZINC03933536 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599232 Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 InChI=1S/C20H21NO2S/c1-16-6-8-18(9-7-16)24(22,23)21-14-12-20(13-15-21)11-10-17-4-2-3-5-19(17)20/h2-11H,12-15H2,1H3 VRVIZJNFYYAUKC-UHFFFAOYSA-N 50001405 1'-(4-methylphenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL341490 Oxytocin receptor Rattus 1600 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001405&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9797987 103915870 CHEMBL341490 ZINC13728182 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599235 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2 InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)/t19-,24+,25+/m1/s1 XKVDTEPESVJNPJ-NGXZDTIWSA-N 50043199 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]acetic acid::CHEMBL341339 Oxytocin receptor Rattus 370 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043199&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9981665 103974670 CHEMBL341339 ZINC03782522 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599236 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1 MWIASLNTAGRGGA-ZJPWWDJASA-N 50326719 (S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tolylpiperazin-1-ylsulfonyl)methyl)bicyclo[2.2.1]heptan-2-yl)-4-(methylsulfonyl)butanamide::CHEMBL1253853 Oxytocin receptor Rattus 3.6 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326719&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9872389 123105834 CHEMBL1253853 ZINC03923061 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599237 CC(=O)NCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 InChI=1S/C25H29N3O4/c1-18(29)26-14-17-32-22-9-6-20(7-10-22)25(31)27-15-12-21(13-16-27)28-23-5-3-2-4-19(23)8-11-24(28)30/h2-7,9-10,21H,8,11-17H2,1H3,(H,26,29) NNKANQANGHLHLN-UHFFFAOYSA-N 50045130 CHEMBL60954::N-(2-{4-[4-(2-Oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-ethyl)-acetamide Oxytocin receptor Rattus 230 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50045130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50045130&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14969551 103976228 CHEMBL60954 ZINC13832058 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599238 COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3 WDERJSQJYIJOPD-UHFFFAOYSA-N 50029649 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one::1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL24781::L-371257 Oxytocin receptor Rattus 19 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029649&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918320 103938699 CHEMBL24781 2252 ZINC03824080 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599239 COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3 SKWSXDUHUVMPBT-UHFFFAOYSA-N 50064711 1-(1-{2-Methoxy-4-[1-(2-methyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL306645 Oxytocin receptor Rattus 14 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064711&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311202 103959693 CHEMBL306645 2253 ZINC53122854 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599265 CO\N=C1\C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23-/t25-,26+/m0/s1 IBXGJPAYWMFXSF-UEEONYLUSA-N 50326713 (2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(methoxyimino)-1-[(2'-methyl[1,1'-biphenyl]-4-yl)carbonyl]-2-pyrrolidinecarboxamide::(S)-N-((S)-2-hydroxy-2-phenylethyl)-4-(methoxyimino)-1-(2'-methylbiphenylcarbonyl)pyrrolidine-2-carboxamide::CHEMBL1254024 Oxytocin receptor Rattus 135 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326713&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9690136 123105828 CHEMBL1254024 2192 ZINC04847333 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599269 CO\N=C1\C[C@@H](CO)N(C1)C(=O)c1ccc(cc1)-c1ccccc1C InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)15-7-9-16(10-8-15)20(24)22-12-17(21-25-2)11-18(22)13-23/h3-10,18,23H,11-13H2,1-2H3/b21-17-/t18-/m0/s1 OLUJSZLBWZWGJT-HGBKYHTQSA-N 50326721 (S)-(2-(hydroxymethyl)-4-(methoxyimino)pyrrolidin-1-yl)(2'-methylbiphenyl-4-yl)methanone::CHEMBL1254025 Oxytocin receptor Rattus 210 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326721&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 52947354 123105836 CHEMBL1254025 ZINC64491763 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599273 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1 InChI=1S/C25H24N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h4-15H,3,16H2,1-2H3,(H,27,30)(H,26,28,31) IMTZHKQCVJWSGI-UHFFFAOYSA-N 50326717 4-ethoxy-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hydrazinyl)ethyl)-N-p-tolylbenzenesulfonamide::CHEMBL1254117 Oxytocin receptor Rattus 0.67 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326717&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5757282 123105832 CHEMBL1254117 ZINC00829773 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50599278 CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40) BUKWNCANUKACAQ-UHFFFAOYSA-N 50326722 (Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hydrazinyl)ethyl)sulfamoyl)phenyl)-N-(3-(dimethylamino)propyl)propanamide::3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hydrazinyl)ethyl)sulfamoyl)phenyl)-N-(3-(dimethylamino)propyl)propanamide::CHEMBL445816 Oxytocin receptor Rattus 0.67 ChEMBL 10.1021/jm901812z 10.7270/Q20R9PMZ 20550119 Borthwick, AD DrugMolDesign http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326722&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918778 123105837 CHEMBL445816 2194 ZINC28562816 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756049 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42H,4,11-13,18-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 JAFOMQLQGQAEGY-FMLBVUFZSA-N 50368131 CHEMBL1790548 Oxytocin receptor Rattus 30 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368131&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56665481 160847233 CHEMBL1790548 ZINC26387409 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756050 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O InChI=1S/C40H52N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,25,28-32,34,41H,4,11-12,17-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 JWFSSTFDQFNSFM-DNXUAPEZSA-N 50368129 CHEMBL1790543 Oxytocin receptor Rattus 89 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368129&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56665479 160847231 CHEMBL1790543 ZINC95543578 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756051 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 IFHSSGUGRIXWQU-FMLBVUFZSA-N 50368132 CHEMBL1790546 Oxytocin receptor Rattus 7.3 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368132&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56661990 160847234 CHEMBL1790546 ZINC26386661 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756053 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O7/c1-4-25(2)34-40(55)47-30(17-11-21-41-47)39(54)48-31(19-20-33(49)44-48)37(52)45(3)32(24-27-15-9-6-10-16-27)38(53)46-22-12-18-29(46)36(51)42-28(35(50)43-34)23-26-13-7-5-8-14-26/h5-10,13-16,21,25,28-32,34H,4,11-12,17-20,22-24H2,1-3H3,(H,42,51)(H,43,50)(H,44,49)/t25-,28-,29+,30-,31+,32-,34+/m1/s1 YKDZHFRDLVXPAX-DNXUAPEZSA-N 50368133 CHEMBL1790542 Oxytocin receptor Rattus 9.6 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368133&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56658525 160847235 CHEMBL1790542 ZINC95543461 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756058 CC[C@@H](C)[C@@H]1N(O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O InChI=1S/C40H54N8O7/c1-4-26(2)34-40(54)47-32(19-12-22-42-47)39(53)46-31(18-11-21-41-46)37(51)44(3)33(25-28-16-9-6-10-17-28)38(52)45-23-13-20-30(45)35(49)43-29(36(50)48(34)55)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34,41-42,55H,4,11-13,18-25H2,1-3H3,(H,43,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 IEENMDADGAZPAM-FMLBVUFZSA-N 50368135 CHEMBL1790549 Oxytocin receptor Rattus 150 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368135&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56668906 160847237 CHEMBL1790549 ZINC95543562 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756059 CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O5S/c1-4-26(2)34-40(53)48-32(19-12-22-42-48)39(52)47-31(18-11-21-41-47)37(50)45(3)33(25-28-16-9-6-10-17-28)38(51)46-23-13-20-30(46)35(49)43-29(36(54)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,49)(H,44,54)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 UCCNQKXIVKJKBO-FMLBVUFZSA-N 50368134 CHEMBL1790544 Oxytocin receptor Rattus 1.1 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368134&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56665480 160847236 CHEMBL1790544 ZINC95543567 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756066 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1 ADDAICAYUGEWHC-FMLBVUFZSA-N 50368136 CHEMBL1790547 Oxytocin receptor Rattus 8.1 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368136&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56672379 160847238 CHEMBL1790547 ZINC26387395 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756070 CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1 AZZIEIBZYVOPLB-MNTMQBIHSA-N 50368137 CHEMBL1790550 Oxytocin receptor Rattus >30000 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368137&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56679085 160847239 CHEMBL1790550 ZINC26400104 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756071 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1 XZXMFHPEUMXKID-MZNYQVFTSA-N 50368130 CHEMBL1790551 Oxytocin receptor Rattus 3.4 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368130&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56672380 160847232 CHEMBL1790551 ZINC95543545 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50756079 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O InChI=1S/C42H58N8O6/c1-6-28(2)36-42(56)50-34(22-14-24-46(50)4)41(55)49-33(21-13-23-45(49)3)39(53)47(5)35(27-30-18-11-8-12-19-30)40(54)48-25-15-20-32(48)38(52)43-31(37(51)44-36)26-29-16-9-7-10-17-29/h7-12,16-19,28,31-36H,6,13-15,20-27H2,1-5H3,(H,43,52)(H,44,51)/t28-,31-,32+,33+,34-,35-,36+/m1/s1 NVKOMCQYLXJQOG-JYZQVRGTSA-N 50368138 CHEMBL1790552 Oxytocin receptor Rattus 2500 ChEMBL 10.1021/jm00171a003 10.7270/Q2F76D60 2167976 Bock, MG; DiPardo, RM; Williams, PD; Pettibone, DJ; Clineschmidt, BV; Ball, RG; Veber, DF; Freidinger, RM Merck http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368138&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56668907 160847240 CHEMBL1790552 ZINC95543580 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761286 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H58N6O6/c1-4-29(2)37-43(55)49-26-16-13-23-35(49)41(53)48-25-15-12-22-34(48)40(52)46(3)36(28-31-19-9-6-10-20-31)42(54)47-24-14-11-21-33(47)39(51)44-32(38(50)45-37)27-30-17-7-5-8-18-30/h5-10,17-20,29,32-37H,4,11-16,21-28H2,1-3H3,(H,44,51)(H,45,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1 AYGIPDNOMKZKGS-KDPLRFIXSA-N 50001301 14,22-dibenzyl-23-methyl-11-(1-methyl-(1S)-propyl)-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::CHEMBL129089 Oxytocin receptor Rattus 660 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001301&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372921 103915766 CHEMBL129089 ZINC95548335 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761287 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O InChI=1S/C40H52N6O6/c1-4-26(2)34-40(52)46-23-13-20-32(46)38(50)45-22-12-19-31(45)37(49)43(3)33(25-28-16-9-6-10-17-28)39(51)44-21-11-18-30(44)36(48)41-29(35(47)42-34)24-27-14-7-5-8-15-27/h5-10,14-17,26,29-34H,4,11-13,18-25H2,1-3H3,(H,41,48)(H,42,47)/t26-,29+,30-,31-,32+,33+,34-/m0/s1 HXGGOWUTOKFJEM-NSTWBPGMSA-N 50001302 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::CHEMBL52813 Oxytocin receptor Rattus 3400 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001302&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10055619 103915767 CHEMBL52813 ZINC29486262 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761289 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C1=O InChI=1S/C41H54N6O6/c1-4-27(2)35-41(53)47-24-14-21-33(47)39(51)46-22-12-11-19-32(46)38(50)44(3)34(26-29-17-9-6-10-18-29)40(52)45-23-13-20-31(45)37(49)42-30(36(48)43-35)25-28-15-7-5-8-16-28/h5-10,15-18,27,30-35H,4,11-14,19-26H2,1-3H3,(H,42,49)(H,43,48)/t27-,30+,31-,32-,33+,34+,35-/m0/s1 JDHZLXUKZZJJGJ-UBALQFROSA-N 50001305 15,23-dibenzyl-24-methyl-12-[1-methyl-(1S)-propyl]-(6aR,12S,15R,17aS,23R,25aS)-perhydropyrido[1,2-d]dipyrrolo[1,2-a:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,11,14,17,22,25-hexaone::CHEMBL127056 Oxytocin receptor Rattus 540 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001305&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10485071 103915770 CHEMBL127056 ZINC27305101 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761293 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1 JDOMSHIFFAUNHK-FZTIRJJLSA-N 50001307 18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19,25-heptaaza-tricyclo[19.4.0.0*9,13*]pentacos-24-ene-2,5,8,14,17,20-hexaone::CHEMBL338308 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001307&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10010253 103915772 CHEMBL338308 ZINC95540780 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761299 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1 ASIBWWHGDICUFM-IVDQXPDGSA-N 50001313 18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl-6-naphthalen-2-ylmethyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL338018 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001313&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10373199 103915778 CHEMBL338018 ZINC95611267 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761314 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C36H52N6O6/c1-5-23(2)30-36(48)42-20-12-10-17-29(42)35(47)41-19-11-9-16-28(41)34(46)39(4)24(3)33(45)40-21-13-18-27(40)32(44)37-26(31(43)38-30)22-25-14-7-6-8-15-25/h6-8,14-15,23-24,26-30H,5,9-13,16-22H2,1-4H3,(H,37,44)(H,38,43)/t23-,24+,26+,27-,28-,29+,30-/m0/s1 BBYBEVWKNIHAKF-WHBJEBMZSA-N 50001320 16-benzyl-24,25-dimethyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24S,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL339493 Oxytocin receptor Rattus 1200 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001320&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350887 103915785 CHEMBL339493 ZINC27308330 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761321 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1 DYASWPQNHOGBMN-KOMPESINSA-N 50368438 CHEMBL1790938 Oxytocin receptor Rattus 18 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368438&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56671648 160847540 CHEMBL1790938 ZINC95548200 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761322 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H54N6O6/c1-3-27(2)35-41(53)47-23-13-11-20-34(47)40(52)46-22-12-10-19-32(46)38(50)43-31(26-29-17-8-5-9-18-29)39(51)45-24-14-21-33(45)37(49)42-30(36(48)44-35)25-28-15-6-4-7-16-28/h4-9,15-18,27,30-35H,3,10-14,19-26H2,1-2H3,(H,42,49)(H,43,50)(H,44,48)/t27-,30+,31+,32-,33-,34+,35-/m0/s1 GCNSQAISKHRWNO-XNQAQSEHSA-N 50001324 16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL129733 Oxytocin receptor Rattus 340 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001324&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10439916 103915789 CHEMBL129733 ZINC27307364 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761326 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)N(C)C1=O InChI=1S/C40H54N6O6/c1-6-26(2)34-40(52)43(4)27(3)37(49)46-22-14-13-20-32(46)38(50)44(5)33(25-29-18-11-8-12-19-29)39(51)45-23-15-21-31(45)36(48)41-30(35(47)42-34)24-28-16-9-7-10-17-28/h7-12,16-19,26-27,30-34H,6,13-15,20-25H2,1-5H3,(H,41,48)(H,42,47)/t26-,27+,30+,31-,32-,33+,34-/m0/s1 UYAQQYSGQBVHCQ-PYJUVQNSSA-N 50001325 4,13-Dibenzyl-16-sec-butyl-3,18,19-trimethyl-3,6,12,15,18,21-hexaaza-tricyclo[19.4.0.0*6,10*]pentacosane-2,5,11,14,17,20-hexaone::CHEMBL339452 Oxytocin receptor Rattus 1500 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001325&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350967 103915790 CHEMBL339452 ZINC27310147 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761332 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H54N6O6/c1-6-26(2)34-40(52)46-22-14-13-20-32(46)38(50)43(4)27(3)37(49)44(5)33(25-29-18-11-8-12-19-29)39(51)45-23-15-21-31(45)36(48)41-30(35(47)42-34)24-28-16-9-7-10-17-28/h7-12,16-19,26-27,30-34H,6,13-15,20-25H2,1-5H3,(H,41,48)(H,42,47)/t26-,27-,30+,31-,32+,33-,34-/m0/s1 VQWHMNAKGFPWDQ-OHPUHXNZSA-N 50001327 6,15-Dibenzyl-3-sec-butyl-16,18,19-trimethyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL129414 Oxytocin receptor Rattus 2700 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001327&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350966 103915792 CHEMBL129414 ZINC27310142 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761339 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H52N6O8/c1-4-25(2)34-40(54)46-20-12-11-18-30(46)37(51)42-29(24-33(47)48)38(52)44(3)32(23-27-16-9-6-10-17-27)39(53)45-21-13-19-31(45)36(50)41-28(35(49)43-34)22-26-14-7-5-8-15-26/h5-10,14-17,25,28-32,34H,4,11-13,18-24H2,1-3H3,(H,41,50)(H,42,51)(H,43,49)(H,47,48)/t25-,28+,29-,30+,31-,32+,34-/m0/s1 RWACFKPPGCUVNX-WZWKYWKBSA-N 50001330 (6,15-Dibenzyl-3-sec-butyl-16-methyl-2,5,8,14,17,20-hexaoxo-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacos-18-yl)-acetic acid::CHEMBL436397 Oxytocin receptor Rattus 1500 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001330 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001330&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10462755 103915795 CHEMBL436397 ZINC95614525 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761342 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C41H53N7O6/c1-4-27(2)35-41(54)48-33(20-13-22-42-48)39(52)47-23-12-11-19-32(47)38(51)45(3)34(26-29-17-9-6-10-18-29)40(53)46-24-14-21-31(46)37(50)43-30(36(49)44-35)25-28-15-7-5-8-16-28/h5-10,15-18,22,27,30-35H,4,11-14,19-21,23-26H2,1-3H3,(H,43,50)(H,44,49)/t27-,30+,31-,32-,33+,34+,35-/m0/s1 WJIPNJPRBVGXDM-UBALQFROSA-N 50001323 16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24S)-perhydropyridazino[1,6-a]pyrido[1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL2370623 Oxytocin receptor Rattus 3500 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001323&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10417558 103915788 CHEMBL2370623 ZINC27310047 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761343 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C44H58N6O6/c1-4-24-47-37(29-32-19-10-7-11-20-32)43(55)48-27-16-23-34(48)40(52)45-33(28-31-17-8-6-9-18-31)39(51)46-38(30(3)5-2)44(56)50-26-15-13-22-36(50)42(54)49-25-14-12-21-35(49)41(47)53/h4,6-11,17-20,30,33-38H,1,5,12-16,21-29H2,2-3H3,(H,45,52)(H,46,51)/t30-,33+,34-,35-,36+,37+,38-/m0/s1 ZXIHEYCCEPAGMG-BWIPDQASSA-N 50001331 25-allyl-16,24-dibenzyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL340479 Oxytocin receptor Rattus 190 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001331&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10101689 103915796 CHEMBL340479 ZINC95611435 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761344 CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H53N9O6/c1-2-3-12-29-38(53)49-18-9-7-15-34(49)40(55)48-17-8-6-14-32(48)37(52)46-31(21-26-23-41-24-43-26)39(54)47-19-10-16-33(47)36(51)45-30(35(50)44-29)20-25-22-42-28-13-5-4-11-27(25)28/h4-5,11,13,22-24,29-34,42H,2-3,6-10,12,14-21H2,1H3,(H,41,43)(H,44,50)(H,45,51)(H,46,52)/t29-,30+,31+,32-,33-,34+/m0/s1 FWBXLUTVLNUHQO-QYVXQROWSA-N 50001310 13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)-(6aR,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL405289 Oxytocin receptor Rattus 72 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001310&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10395321 103915775 CHEMBL405289 ZINC95613282 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761349 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H59N7O6/c1-4-28(2)36-42(55)49-24-14-12-21-33(49)38(51)44-31(20-11-13-23-43)40(53)47(3)35(27-30-18-9-6-10-19-30)41(54)48-25-15-22-34(48)39(52)45-32(37(50)46-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27,43H2,1-3H3,(H,44,51)(H,45,52)(H,46,50)/t28-,31-,32+,33+,34-,35+,36-/m0/s1 IXSANGWVTZFLAC-UBLJBVQWSA-N 50001315 18-(4-Amino-butyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL338294 Oxytocin receptor Rattus 160 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001315 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001315&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10055898 103915780 CHEMBL338294 ZINC95611281 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761354 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H54N8O6/c1-4-27(2)36-42(56)50-20-12-11-18-33(50)39(53)46-32(24-30-25-43-26-44-30)40(54)48(3)35(23-29-16-9-6-10-17-29)41(55)49-21-13-19-34(49)38(52)45-31(37(51)47-36)22-28-14-7-5-8-15-28/h5-10,14-17,25-27,31-36H,4,11-13,18-24H2,1-3H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t27-,31+,32-,33+,34-,35+,36-/m0/s1 BIHVYLXXSXHZID-ALQBPHJJSA-N 50001332 6,15-Dibenzyl-3-sec-butyl-18-(1H-imidazol-4-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL339450 Oxytocin receptor Rattus 220 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001332&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10395390 103915797 CHEMBL339450 ZINC95611376 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761370 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O InChI=1S/C42H55N9O6/c1-4-26(2)36-42(57)51-34(18-11-21-45-51)39(54)46-31(17-10-20-43)40(55)49(3)35(23-27-13-6-5-7-14-27)41(56)50-22-12-19-33(50)38(53)47-32(37(52)48-36)24-28-25-44-30-16-9-8-15-29(28)30/h5-9,13-16,21,25-26,31-36,44H,4,10-12,17-20,22-24,43H2,1-3H3,(H,46,54)(H,47,53)(H,48,52)/t26-,31-,32+,33-,34+,35+,36-/m0/s1 VIFMQSHLKCQLIU-HEESVJHSSA-N 50001303 18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19,25-heptaaza-tricyclo[19.4.0.0*9,13*]pentacos-24-ene-2,5,8,14,17,20-hexaone::CHEMBL126765 Oxytocin receptor Rattus 25 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001303&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10327911 103915768 CHEMBL126765 ZINC95542179 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761371 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-26-13-11-23-37(53)42(55)48-35(22-10-12-25-47)44(57)51(3)39(28-31-16-6-5-7-17-31)45(58)52-27-15-24-38(52)43(56)49-36(41(54)50-40)29-33-20-14-19-32-18-8-9-21-34(32)33/h5-9,14,16-21,30,35-40H,4,10-13,15,22-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1 RWGRPWCYRDDWCZ-IVDQXPDGSA-N 50001333 18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl-6-naphthalen-1-ylmethyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL340204 Oxytocin receptor Rattus 45 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001333&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10056189 103915798 CHEMBL340204 ZINC95611403 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761374 CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H53N9O6/c1-24(2)18-30-38(53)49-16-8-6-13-34(49)40(55)48-15-7-5-12-32(48)37(52)46-31(20-26-22-41-23-43-26)39(54)47-17-9-14-33(47)36(51)44-29(35(50)45-30)19-25-21-42-28-11-4-3-10-27(25)28/h3-4,10-11,21-24,29-34,42H,5-9,12-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,50)(H,46,52)/t29-,30+,31-,32+,33+,34-/m1/s1 LCKIMAYTFGNSOJ-SRMNXDGMSA-N 50001328 24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)-13-isobutyl-(6aR,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL338020 Oxytocin receptor Rattus 190 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001328&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372926 103915793 CHEMBL338020 ZINC95611268 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761376 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1 KFHNSIZACLSCMN-SODGFMKBSA-N 50001317 18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL419793 Oxytocin receptor Rattus 65 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001317&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9987881 103915782 CHEMBL419793 ZINC95613644 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761379 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H56N6O6/c1-4-28(2)36-42(54)48-24-14-12-21-34(48)40(52)47-23-13-11-20-33(47)39(51)45(3)35(27-30-18-9-6-10-19-30)41(53)46-25-15-22-32(46)38(50)43-31(37(49)44-36)26-29-16-7-5-8-17-29/h5-10,16-19,28,31-36H,4,11-15,20-27H2,1-3H3,(H,43,50)(H,44,49)/t28-,31+,32-,33-,34+,35+,36-/m0/s1 MIAHOWFGIYZPJD-JNXKOWIVSA-N 50001319 16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL339118 Oxytocin receptor Rattus 200 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001319&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 15666978 103915784 CHEMBL339118 ZINC29489352 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761381 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C41H54N6O6/c1-4-27(2)35-41(53)47-22-12-11-19-33(47)39(51)46-24-14-21-32(46)38(50)44(3)34(26-29-17-9-6-10-18-29)40(52)45-23-13-20-31(45)37(49)42-30(36(48)43-35)25-28-15-7-5-8-16-28/h5-10,15-18,27,30-35H,4,11-14,19-26H2,1-3H3,(H,42,49)(H,43,48)/t27-,30+,31-,32-,33+,34+,35-/m0/s1 HNVLBLIDXMRHHS-UBALQFROSA-N 50001335 15,23-dibenzyl-24-methyl-12-[1-methyl-(1S)-propyl]-(5aR,12S,15R,17aS,23R,25aS)-perhydropyrido[1,2-a]dipyrrolo[1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,11,14,17,22,25-hexaone::CHEMBL338981 Oxytocin receptor Rattus 670 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001335&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10462631 103915800 CHEMBL338981 ZINC27303800 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50761382 CC[C@H](C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H58N6O6/c1-5-29(2)37-43(55)49-25-15-13-22-35(49)41(53)48-24-14-12-21-34(48)40(52)45(3)36(28-31-19-10-7-11-20-31)42(54)47-26-16-23-33(47)38(50)44-32(39(51)46(37)4)27-30-17-8-6-9-18-30/h6-11,17-20,29,32-37H,5,12-16,21-28H2,1-4H3,(H,44,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1 VIYULCLTWYLIKW-KDPLRFIXSA-N 50001334 16,24-dibenzyl-14,25-dimethyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL338221 Oxytocin receptor Rattus 25000 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001334&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9987648 103915799 CHEMBL338221 ZINC95611275 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50836360 Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) FOMNYBUNFIUPHX-UHFFFAOYSA-N 50177592 (5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone::CHEMBL201889 Oxytocin receptor Rattus 1259 ChEMBL 10.1016/j.bmcl.2005.10.107 10.7270/Q27945GR 16297621 Failli, AA; Shumsky, JS; Steffan, RJ; Caggiano, TJ; Williams, DK; Trybulski, EJ; Ning, X; Lock, Y; Tanikella, T; Hartmann, D; Chan, PS; Park, CH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177592&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9824954 104063055 CHEMBL201889 ZINC00602490 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50834648 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)NC2C=CCC=C12)c1ccc(C)cc1 InChI=1S/C25H26N4O5S/c1-3-34-19-12-14-20(15-13-19)35(32,33)29(18-10-8-17(2)9-11-18)16-23(30)27-28-24-21-6-4-5-7-22(21)26-25(24)31/h5-15,22H,3-4,16H2,1-2H3,(H,26,31)(H,27,30) BZMQWEWGWYSSDI-UHFFFAOYSA-N 50178153 4-ethoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]ethyl}benzenesulfonamide::CHEMBL199623 Oxytocin receptor Rattus 25 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178153&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91936432 104063540 CHEMBL199623 ZINC28563073 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843200 NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 NFLWUMRGJYTJIN-NXBWRCJVSA-N 50205291 (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((S)-1-(2-amino-2-oxoethylamino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide::CHEMBL376685::deamino-[Cys1]arginine vasopressin Oxytocin receptor Rattus 0.97 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205291&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16051933 104083690 CHEMBL376685 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843204 CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31-,32-,33-,34-,38-/m0/s1 KEBRFHAVFOSSOX-CDKUOFBKSA-N 50205300 CHEMBL221436::d[Val4]AVP Oxytocin receptor Rattus 826 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205300&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44419025 104083699 CHEMBL221436 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843210 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C46H66N12O11S2/c47-18-5-4-10-30(40(63)51-25-38(50)61)54-45(68)36-12-7-20-58(36)46(69)35-26-71-70-21-17-39(62)52-32(23-28-13-15-29(59)16-14-28)42(65)55-33(22-27-8-2-1-3-9-27)43(66)53-31(11-6-19-48)41(64)56-34(24-37(49)60)44(67)57-35/h1-3,8-9,13-16,30-36,59H,4-7,10-12,17-26,47-48H2,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,64)(H,57,67)/t30-,31-,32-,33-,34-,35-,36-/m0/s1 MYTIGVSAVZNLKG-QJCLFNHPSA-N 50205306 CHEMBL375323::d[Orn4,Lys8]VP Oxytocin receptor Rattus 22 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205306&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109441 104083705 CHEMBL375323 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843214 NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C49H69N11O11S2/c50-20-7-13-33(43(65)53-27-41(52)63)55-48(70)39-14-8-21-60(39)49(71)38-28-73-72-22-19-42(64)54-34(25-31-15-17-32(61)18-16-31)44(66)56-35(23-29-9-3-1-4-10-29)45(67)57-36(24-30-11-5-2-6-12-30)46(68)58-37(26-40(51)62)47(69)59-38/h1,3-4,9-10,15-18,30,33-39,61H,2,5-8,11-14,19-28,50H2,(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,70)(H,56,66)(H,57,67)(H,58,68)(H,59,69)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 CADGMGWLZUBCQD-ZTYVOHGWSA-N 50205295 CHEMBL263090::d[Cha4,Orn8]VP Oxytocin receptor Rattus 550 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205295&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109438 104083694 CHEMBL263090 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843219 NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C46H66N14O11S2/c47-17-4-9-29(39(65)53-24-37(49)63)56-44(70)35-11-6-19-60(35)45(71)34-25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(21-26-7-2-1-3-8-26)42(68)55-30(10-5-18-52-46(50)51)40(66)58-33(23-36(48)62)43(69)59-34/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 FEMJEHRQGCUGEY-POFDKVPJSA-N 50205292 CHEMBL385068::d[Arg4,Orn8]VP Oxytocin receptor Rattus 130 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205292&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109448 104083691 CHEMBL385068 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843223 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O InChI=1S/C45H63N11O11S2/c1-25(2)19-30-40(62)54-33(22-36(47)58)43(65)55-34(45(67)56-17-6-9-35(56)44(66)51-29(14-16-46)39(61)49-23-37(48)59)24-69-68-18-15-38(60)50-31(21-27-10-12-28(57)13-11-27)41(63)53-32(42(64)52-30)20-26-7-4-3-5-8-26/h3-5,7-8,10-13,25,29-35,57H,6,9,14-24,46H2,1-2H3,(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,64)(H,53,63)(H,54,62)(H,55,65)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 VIYXBPSZIAMFAA-POFDKVPJSA-N 50205297 CHEMBL412973::d[Leu4,Dab8]VP Oxytocin receptor Rattus 41 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205297&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109440 104083696 CHEMBL412973 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843224 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O InChI=1S/C46H65N11O11S2/c1-26(2)20-31-41(63)55-34(23-37(48)59)44(66)56-35(46(68)57-18-7-11-36(57)45(67)52-30(10-6-17-47)40(62)50-24-38(49)60)25-70-69-19-16-39(61)51-32(22-28-12-14-29(58)15-13-28)42(64)54-33(43(65)53-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,58H,6-7,10-11,16-25,47H2,1-2H3,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,65)(H,54,64)(H,55,63)(H,56,66)/t30-,31-,32-,33-,34-,35-,36-/m0/s1 FVVIZMMVAAKOOP-QJCLFNHPSA-N 50205301 CHEMBL375188::d[Leu4,Orn8]VP Oxytocin receptor Rattus 55 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205301&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109445 104083700 CHEMBL375188 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843226 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C47H68N14O11S2/c48-18-5-4-10-30(40(66)54-25-38(50)64)57-45(71)36-12-7-20-61(36)46(72)35-26-74-73-21-17-39(65)55-32(23-28-13-15-29(62)16-14-28)42(68)58-33(22-27-8-2-1-3-9-27)43(69)56-31(11-6-19-53-47(51)52)41(67)59-34(24-37(49)63)44(70)60-35/h1-3,8-9,13-16,30-36,62H,4-7,10-12,17-26,48H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,69)(H,57,71)(H,58,68)(H,59,67)(H,60,70)(H4,51,52,53)/t30-,31-,32-,33-,34-,35-,36-/m0/s1 KYQCNVIVUUQTRA-QJCLFNHPSA-N 50205298 CHEMBL375325::d[Arg4,Lys8]VP Oxytocin receptor Rattus 125 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205298&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109442 104083697 CHEMBL375325 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843229 NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C47H65N11O11S2/c48-24-35(41(63)51-25-39(50)61)56-46(68)37-12-7-18-58(37)47(69)36-26-71-70-19-17-40(62)52-31(22-29-13-15-30(59)16-14-29)42(64)53-32(20-27-8-3-1-4-9-27)43(65)54-33(21-28-10-5-2-6-11-28)44(66)55-34(23-38(49)60)45(67)57-36/h1,3-4,8-9,13-16,28,31-37,59H,2,5-7,10-12,17-26,48H2,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 XABCPBOFMBSCDK-PEAOEFARSA-N 50205299 CHEMBL375187::d[Cha4,Dap8]VP Oxytocin receptor Rattus 1200 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205299&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109439 104083698 CHEMBL375187 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843232 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CN)C(=O)NCC(N)=O InChI=1S/C44H61N11O11S2/c1-24(2)17-28-39(61)52-31(20-35(46)57)42(64)54-33(44(66)55-15-6-9-34(55)43(65)53-32(21-45)38(60)48-22-36(47)58)23-68-67-16-14-37(59)49-29(19-26-10-12-27(56)13-11-26)40(62)51-30(41(63)50-28)18-25-7-4-3-5-8-25/h3-5,7-8,10-13,24,28-34,56H,6,9,14-23,45H2,1-2H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,63)(H,51,62)(H,52,61)(H,53,65)(H,54,64)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 ZAOGZAMKKBQERK-NXBWRCJVSA-N 50205303 CHEMBL373968::d[Leu4,Dap8]VP Oxytocin receptor Rattus 134 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205303&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109446 104083702 CHEMBL373968 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843235 NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C48H67N11O11S2/c49-19-17-32(42(64)52-26-40(51)62)54-47(69)38-12-7-20-59(38)48(70)37-27-72-71-21-18-41(63)53-33(24-30-13-15-31(60)16-14-30)43(65)55-34(22-28-8-3-1-4-9-28)44(66)56-35(23-29-10-5-2-6-11-29)45(67)57-36(25-39(50)61)46(68)58-37/h1,3-4,8-9,13-16,29,32-38,60H,2,5-7,10-12,17-27,49H2,(H2,50,61)(H2,51,62)(H,52,64)(H,53,63)(H,54,69)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t32-,33-,34-,35-,36-,37-,38-/m0/s1 DPVYQFBOSXXNLG-CXWHUAPYSA-N 50205307 CHEMBL412742::d[Cha4,Dab8]VP Oxytocin receptor Rattus 430 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205307&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109444 104083706 CHEMBL412742 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843246 NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 NZPQDNABVFGPNI-POFDKVPJSA-N 50205305 CHEMBL375324::d[Arg4]AVP Oxytocin receptor Rattus 3550 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205305&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44419039 104083704 CHEMBL375324 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843250 NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C45H64N12O11S2/c46-17-4-9-29(39(62)50-24-37(49)60)53-44(67)35-11-6-19-57(35)45(68)34-25-70-69-20-16-38(61)51-31(22-27-12-14-28(58)15-13-27)41(64)54-32(21-26-7-2-1-3-8-26)42(65)52-30(10-5-18-47)40(63)55-33(23-36(48)59)43(66)56-34/h1-3,7-8,12-15,29-35,58H,4-6,9-11,16-25,46-47H2,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,65)(H,53,67)(H,54,64)(H,55,63)(H,56,66)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 NLYHQDXERCUYHP-POFDKVPJSA-N 50205310 CHEMBL219272::d[Orn4,Orn8]VP Oxytocin receptor Rattus 37 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205310&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109447 104083709 CHEMBL219272 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843254 NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 ZKYCVZNKBXGNEK-ZTYVOHGWSA-N 50205312 CHEMBL265858::d[Cha4]AVP Oxytocin receptor Rattus 1430 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205312&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44419028 104083711 CHEMBL265858 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843255 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O InChI=1S/C47H67N11O11S2/c1-27(2)21-32-42(64)56-35(24-38(49)60)45(67)57-36(47(69)58-19-8-12-37(58)46(68)53-31(11-6-7-18-48)41(63)51-25-39(50)61)26-71-70-20-17-40(62)52-33(23-29-13-15-30(59)16-14-29)43(65)55-34(44(66)54-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,59H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,66)(H,55,65)(H,56,64)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 QGZMLGLFLYCDQT-PEAOEFARSA-N 50205309 CHEMBL412972::d[Leu4,Lys8]VP Oxytocin receptor Rattus 64 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205309&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44419030 104083708 CHEMBL412972 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843256 NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C45H64N14O11S2/c46-16-14-29(38(64)52-23-36(48)62)55-43(69)34-9-5-18-59(34)44(70)33-24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(20-25-6-2-1-3-7-25)41(67)54-28(8-4-17-51-45(49)50)39(65)57-32(22-35(47)61)42(68)58-33/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 JTUSVVYBCYZYRH-NXBWRCJVSA-N 50205296 CHEMBL385739::d[Arg4,Dab8]VP Oxytocin receptor Rattus 195 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205296&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109443 104083695 CHEMBL385739 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843257 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O InChI=1S/C50H71N11O11S2/c51-21-8-7-14-34(44(66)54-28-42(53)64)56-49(71)40-15-9-22-61(40)50(72)39-29-74-73-23-20-43(65)55-35(26-32-16-18-33(62)19-17-32)45(67)57-36(24-30-10-3-1-4-11-30)46(68)58-37(25-31-12-5-2-6-13-31)47(69)59-38(27-41(52)63)48(70)60-39/h1,3-4,10-11,16-19,31,34-40,62H,2,5-9,12-15,20-29,51H2,(H2,52,63)(H2,53,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t34-,35-,36-,37-,38-,39-,40-/m0/s1 RJWLIPGRNZUUNS-OAKHNGAUSA-N 50205293 CHEMBL221485::d[Cha4,Lys8]VP Oxytocin receptor Rattus 590 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205293&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 16109437 104083692 CHEMBL221485 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843273 NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O InChI=1S/C46H66N14O11S2/c47-17-4-9-30-40(66)58-33(23-36(48)62)43(69)59-34(45(71)60-19-6-11-35(60)44(70)56-29(10-5-18-52-46(50)51)39(65)53-24-37(49)63)25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(42(68)55-30)21-26-7-2-1-3-8-26/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1 HBVZQPKQFUSYKR-POFDKVPJSA-N 50205311 CHEMBL375096::d[Orn4]AVP Oxytocin receptor Rattus 997 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205311&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11366713 104083710 CHEMBL375096 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50843274 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O InChI=1S/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-/m0/s1 CYOLRNSRVHAZDY-QJCLFNHPSA-N 50205313 CHEMBL265859::d[Leu4]AVP Oxytocin receptor Rattus 481 ChEMBL 10.1021/jm060928n 10.7270/Q2G161NH 17300166 Pena, A; Murat, B; Trueba, M; Ventura, MA; Wo, NC; Szeto, HH; Cheng, LL; Stoev, S; Guillon, G; Manning, M University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205313&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44419029 104083712 CHEMBL265859 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992769 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCCCC1)C2(C)C InChI=1S/C32H52N4O5S2/c1-24-10-8-9-13-28(24)35-17-19-36(20-18-35)43(40,41)23-32-16-14-25(31(32,2)3)22-29(32)34-30(37)27(15-21-42(4,38)39)33-26-11-6-5-7-12-26/h8-10,13,25-27,29,33H,5-7,11-12,14-23H2,1-4H3,(H,34,37)/t25?,27-,29-,32+/m0/s1 GTXWLWONMAPIRD-RCGJWBAQSA-N 50407288 CHEMBL2112900 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407288&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981577 163356312 CHEMBL2112900 ZINC27652073 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992770 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C2(C)C InChI=1S/C28H46N4O7S2/c1-21-7-5-6-8-23(21)30-12-14-32(15-13-30)41(38,39)18-28-11-9-22(27(28,2)3)17-25(28)29-26(35)24(31(19-33)20-34)10-16-40(4,36)37/h5-8,22,24-25,33-34H,9-20H2,1-4H3,(H,29,35)/t22?,24-,25-,28+/m0/s1 PDBNEQGDLMPFIX-SVYKIPJPSA-N 50407289 CHEMBL2112901 Oxytocin receptor Rattus 2.8 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407289&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 71450903 163356313 CHEMBL2112901 ZINC27651698 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992772 CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C InChI=1S/C30H50N4O5S2/c1-7-32(8-2)26(14-20-40(6,36)37)28(35)31-27-21-24-13-15-30(27,29(24,4)5)22-41(38,39)34-18-16-33(17-19-34)25-12-10-9-11-23(25)3/h9-12,24,26-27H,7-8,13-22H2,1-6H3,(H,31,35)/t24?,26-,27-,30+/m0/s1 WWZIAYWNIGKIJW-GLDBXLCOSA-N 50407291 CHEMBL2112894 Oxytocin receptor Rattus 18 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407291&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981576 163356315 CHEMBL2112894 ZINC27642587 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992774 CN(C)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C InChI=1S/C28H46N4O5S2/c1-21-9-7-8-10-23(21)31-14-16-32(17-15-31)39(36,37)20-28-13-11-22(27(28,2)3)19-25(28)29-26(33)24(30(4)5)12-18-38(6,34)35/h7-10,22,24-25H,11-20H2,1-6H3,(H,29,33)/t22?,24-,25-,28+/m0/s1 YRBWUCJBVSLYTK-SVYKIPJPSA-N 50407290 CHEMBL2112896 Oxytocin receptor Rattus 4.9 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407290&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981575 163356314 CHEMBL2112896 ZINC14263483 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992775 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCS(=O)(=O)CC1)C2(C)C InChI=1S/C31H50N4O7S3/c1-23-7-5-6-8-27(23)34-14-16-35(17-15-34)45(41,42)22-31-13-9-24(30(31,2)3)21-28(31)33-29(36)26(12-18-43(4,37)38)32-25-10-19-44(39,40)20-11-25/h5-8,24-26,28,32H,9-22H2,1-4H3,(H,33,36)/t24?,26-,28-,31+/m0/s1 NHFSDNUDNLFJAM-UZOCLWNNSA-N 50407292 CHEMBL2112893 Oxytocin receptor Rattus 1.4 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407292&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981581 163356316 CHEMBL2112893 ZINC27645415 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992776 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCC(N)=O InChI=1S/C28H42N4O4S/c1-26(2)20-10-12-28(26,23(17-20)31-25(34)22(29)7-8-24(30)33)18-37(35,36)32-15-13-27(14-16-32)11-9-19-5-3-4-6-21(19)27/h3-6,20,22-23H,7-18,29H2,1-2H3,(H2,30,33)(H,31,34)/t20-,22+,23+,28-/m1/s1 HUBWQAUQKKUZCD-WIIJNUNGSA-N 50043171 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-(2S)-pentanediamide::CHEMBL131650 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043171&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10075696 103974642 CHEMBL131650 ZINC13734632 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992777 CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21?,22-,24-,27+/m0/s1 CZRITFDAPBAXMY-FFOYZSROSA-N 50407293 CHEMBL2112898 Oxytocin receptor Rattus 9.2 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407293&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981574 163356317 CHEMBL2112898 ZINC27639831 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992779 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCOCC1)C2(C)C InChI=1S/C31H50N4O6S2/c1-23-7-5-6-8-27(23)34-14-16-35(17-15-34)43(39,40)22-31-13-9-24(30(31,2)3)21-28(31)33-29(36)26(12-20-42(4,37)38)32-25-10-18-41-19-11-25/h5-8,24-26,28,32H,9-22H2,1-4H3,(H,33,36)/t24?,26-,28-,31+/m0/s1 RCRXYLXZXVEDIM-UZOCLWNNSA-N 50407294 CHEMBL2112897 Oxytocin receptor Rattus 2.4 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407294&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981578 163356318 CHEMBL2112897 ZINC27636041 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992780 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCNCC1)C2(C)C InChI=1S/C31H51N5O5S2/c1-23-7-5-6-8-27(23)35-16-18-36(19-17-35)43(40,41)22-31-13-9-24(30(31,2)3)21-28(31)34-29(37)26(12-20-42(4,38)39)33-25-10-14-32-15-11-25/h5-8,24-26,28,32-33H,9-22H2,1-4H3,(H,34,37)/t24?,26-,28-,31+/m0/s1 HMXQPALSYGFXPG-UZOCLWNNSA-N 50407295 CHEMBL2112895 Oxytocin receptor Rattus 1.3 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407295&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 14981580 163356319 CHEMBL2112895 ZINC27636844 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992781 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCS(C)(=O)=O InChI=1S/C28H43N3O5S2/c1-26(2)21-9-12-28(26,24(18-21)30-25(32)23(29)10-17-37(3,33)34)19-38(35,36)31-15-13-27(14-16-31)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24H,8-19,29H2,1-3H3,(H,30,32)/t21-,23+,24+,28-/m1/s1 SOXQJPCRICFUHO-QTRWAJEPSA-N 50407012 CHEMBL2112666 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm00031a004 10.7270/Q21C1VZ0 8126695 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407012&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10257352 163356036 CHEMBL2112666 ZINC03915327 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992854 CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38-,39-,40-,44-/m0/s1 WRLMWYFBMVMVFC-PEFSNLBISA-N 50407332 CHEMBL405005 Oxytocin receptor Rattus 29.51 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407332&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294602 163356356 CHEMBL405005 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992866 CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C52H74N14O12S2/c1-65-39(25-31-14-16-32(67)17-15-31)49(77)63-35(24-30-10-4-2-5-11-30)46(74)60-34(18-19-40(53)68)45(73)62-36(26-41(54)69)47(75)64-37(29-79-80-52(27-43(65)71)20-6-3-7-21-52)50(78)66-23-9-13-38(66)48(76)61-33(12-8-22-58-51(56)57)44(72)59-28-42(55)70/h2,4-5,10-11,14-17,33-39,67H,3,6-9,12-13,18-29H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,74)(H,61,76)(H,62,73)(H,63,77)(H,64,75)(H4,56,57,58)/t33-,34-,35+,36+,37+,38-,39-/m0/s1 IJPOCNNFPYKTHF-VZYFELKUSA-N 50407336 CHEMBL412616 Oxytocin receptor Rattus 13.49 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407336&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294844 163356360 CHEMBL412616 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992868 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31+,32-,33-,36+,37-/m0/s1 XYAQUABLEDHOGT-ICMSTALXSA-N 50407334 CHEMBL1790313 Oxytocin receptor Rattus 25.12 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407334&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664708 163356358 CHEMBL1790313 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992873 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C54H79N11O13S2/c1-5-30(2)44-51(76)63-45(31(3)66)52(77)60-38(27-42(56)69)48(73)61-39(29-79-80-54(21-7-6-8-22-54)28-43(70)64(4)41(50(75)62-44)26-33-15-19-35(68)20-16-33)53(78)65-24-10-12-40(65)49(74)58-36(11-9-23-55)47(72)59-37(46(57)71)25-32-13-17-34(67)18-14-32/h13-20,30-31,36-41,44-45,66-68H,5-12,21-29,55H2,1-4H3,(H2,56,69)(H2,57,71)(H,58,74)(H,59,72)(H,60,77)(H,61,73)(H,62,75)(H,63,76)/t30-,31+,36-,37-,38+,39-,40-,41-,44+,45-/m0/s1 MWODLZMVDVZXMT-MVWRPUJDSA-N 50407345 CHEMBL1790315 Oxytocin receptor Rattus 5.25 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407345&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56668119 163356369 CHEMBL1790315 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992875 CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40-,44-/m0/s1 WRLMWYFBMVMVFC-SRLQJIMUSA-N 50407341 CHEMBL264449 Oxytocin receptor Rattus 57.54 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407341&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294854 163356365 CHEMBL264449 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992881 CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C52H74N14O12S2/c1-65-39(25-31-14-16-32(67)17-15-31)49(77)63-35(24-30-10-4-2-5-11-30)46(74)60-34(18-19-40(53)68)45(73)62-36(26-41(54)69)47(75)64-37(29-79-80-52(27-43(65)71)20-6-3-7-21-52)50(78)66-23-9-13-38(66)48(76)61-33(12-8-22-58-51(56)57)44(72)59-28-42(55)70/h2,4-5,10-11,14-17,33-39,67H,3,6-9,12-13,18-29H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,74)(H,61,76)(H,62,73)(H,63,77)(H,64,75)(H4,56,57,58)/t33-,34-,35+,36+,37-,38-,39-/m0/s1 IJPOCNNFPYKTHF-VFWTTWRZSA-N 50407342 CHEMBL415160 Oxytocin receptor Rattus 57.54 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407342&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294603 163356366 CHEMBL415160 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992884 CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C51H73N13O10S2/c1-30(2)42-48(73)61-36(26-39(52)65)45(70)62-37(49(74)64-23-13-19-38(64)47(72)59-33(18-12-22-56-50(54)55)43(68)57-28-40(53)66)29-75-76-51(20-10-5-11-21-51)27-41(67)58-34(24-31-14-6-3-7-15-31)44(69)60-35(46(71)63-42)25-32-16-8-4-9-17-32/h3-4,6-9,14-17,30,33-38,42H,5,10-13,18-29H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34+,35+,36+,37+,38-,42-/m0/s1 AUPQOJCSCYBFTO-GUFAJMNWSA-N 50407338 CHEMBL385062 Oxytocin receptor Rattus 10.72 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407338&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294863 163356362 CHEMBL385062 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992889 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31-,32+,33+,34-,37+,38-/m0/s1 DWTAMXHTYCZNJY-RRNAUTILSA-N 50407339 CHEMBL1790307 Oxytocin receptor Rattus 22.39 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407339&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56678332 163356363 CHEMBL1790307 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992891 N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31+,32+,33-,34-/m1/s1 KBZOIRJILGZLEJ-ZMBMBZNCSA-N 50407346 CHEMBL408786 Oxytocin receptor Rattus 5754.4 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407346&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294604 163356370 CHEMBL408786 C13662 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992894 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C50H75N15O11S2/c1-3-27(2)41-47(75)61-32(15-16-37(51)66)43(71)62-34(23-38(52)67)44(72)63-35(48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)57-25-39(53)68)26-77-78-50(17-7-4-8-18-50)24-40(69)59-33(45(73)64-41)22-29-21-28-11-5-6-12-30(28)58-29/h5-6,11-12,21,27,31-36,41,58H,3-4,7-10,13-20,22-26H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34+,35-,36-,41+/m0/s1 HFVDYVQLASNLPU-RBSUJZTISA-N 50407335 CHEMBL428187 Oxytocin receptor Rattus 28.84 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407335&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294317 163356359 CHEMBL428187 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992898 CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40+,44-/m0/s1 WRLMWYFBMVMVFC-MDLXAUOMSA-N 50407349 CHEMBL265357 Oxytocin receptor Rattus 37.15 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407349&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294559 163356373 CHEMBL265357 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992901 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31-,32-,33-,36+,37-/m0/s1 XYAQUABLEDHOGT-BFQOKCKNSA-N 50407337 CHEMBL1790314 Oxytocin receptor Rattus 5.75 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407337&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56657725 163356361 CHEMBL1790314 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992904 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31-,32+,33-,34-,37+,38-/m0/s1 DWTAMXHTYCZNJY-WAMYDPQPSA-N 50407348 CHEMBL1790312 Oxytocin receptor Rattus 22.91 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407348&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56657724 163356372 CHEMBL1790312 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992908 CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38-,39-,40+,44-/m0/s1 WRLMWYFBMVMVFC-MDUYIBJRSA-N 50407333 CHEMBL412942 Oxytocin receptor Rattus 4.17 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407333&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294560 163356357 CHEMBL412942 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992911 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(71)55-31(16-17-36(50)62)42(67)56-32(23-37(51)63)43(68)57-33(47(72)60-21-9-11-34(60)44(69)54-30(10-8-20-49)41(66)53-25-38(52)64)26-73-74-48(18-6-5-7-19-48)24-39(65)59(3)35(45(70)58-40)22-28-12-14-29(61)15-13-28/h12-15,27,30-35,40,61H,4-11,16-26,49H2,1-3H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,69)(H,55,71)(H,56,67)(H,57,68)(H,58,70)/t27-,30-,31-,32+,33-,34-,35-,40+/m0/s1 FEIVHZFHJGKMRY-YWJUHOGJSA-N 50407350 CHEMBL263521 Oxytocin receptor Rattus 13.18 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407350&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294473 163356374 CHEMBL263521 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992921 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O InChI=1S/C50H75N15O11S2/c1-3-27(2)41-47(75)61-32(15-16-37(51)66)43(71)62-34(23-38(52)67)44(72)63-35(48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)57-25-39(53)68)26-77-78-50(17-7-4-8-18-50)24-40(69)59-33(45(73)64-41)22-29-21-28-11-5-6-12-30(28)58-29/h5-6,11-12,21,27,31-36,41,58H,3-4,7-10,13-20,22-26H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34+,35+,36-,41+/m0/s1 HFVDYVQLASNLPU-LCFYOGMCSA-N 50407343 CHEMBL412806 Oxytocin receptor Rattus 31.62 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407343&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294316 163356367 CHEMBL412806 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992922 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(71)55-31(16-17-36(50)62)42(67)56-32(23-37(51)63)43(68)57-33(47(72)60-21-9-11-34(60)44(69)54-30(10-8-20-49)41(66)53-25-38(52)64)26-73-74-48(18-6-5-7-19-48)24-39(65)59(3)35(45(70)58-40)22-28-12-14-29(61)15-13-28/h12-15,27,30-35,40,61H,4-11,16-26,49H2,1-3H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,69)(H,55,71)(H,56,67)(H,57,68)(H,58,70)/t27-,30-,31-,32+,33+,34-,35-,40+/m0/s1 FEIVHZFHJGKMRY-OUOUSVCESA-N 50407344 CHEMBL261914 Oxytocin receptor Rattus 36.31 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407344&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 44294885 163356368 CHEMBL261914 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50992924 CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C54H79N11O13S2/c1-5-30(2)44-51(76)63-45(31(3)66)52(77)60-38(27-42(56)69)48(73)61-39(29-79-80-54(21-7-6-8-22-54)28-43(70)64(4)41(50(75)62-44)26-33-15-19-35(68)20-16-33)53(78)65-24-10-12-40(65)49(74)58-36(11-9-23-55)47(72)59-37(46(57)71)25-32-13-17-34(67)18-14-32/h13-20,30-31,36-41,44-45,66-68H,5-12,21-29,55H2,1-4H3,(H2,56,69)(H2,57,71)(H,58,74)(H,59,72)(H,60,77)(H,61,73)(H,62,75)(H,63,76)/t30-,31+,36-,37-,38+,39+,40-,41-,44+,45-/m0/s1 MWODLZMVDVZXMT-IKRQSWSISA-N 50407340 CHEMBL1790310 Oxytocin receptor Rattus 38.9 ChEMBL 10.1021/jm00010a020 10.7270/Q24M95QZ 7752199 Manning, M; Cheng, LL; Klis, WA; Balaspiri, L; Olma, A; Sawyer, WH; Wo, NC; Chan, WY Medical College of Ohio http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50407340&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664707 163356364 CHEMBL1790310 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001969 Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(OCCN2CCOCC2)cc1 InChI=1S/C28H28ClN5O6S/c29-20-5-7-21(8-6-20)34(19-26(35)31-32-27-24-3-1-2-4-25(24)30-28(27)36)41(37,38)23-11-9-22(10-12-23)40-18-15-33-13-16-39-17-14-33/h1-12H,13-19H2,(H,31,35)(H,30,32,36) ZLVIQYFQBVQPGT-UHFFFAOYSA-N 50410616 CHEMBL2113185 Oxytocin receptor Rattus 8 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410616&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9873428 163359640 CHEMBL2113185 ZINC28529371 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001973 COCCOCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C27H27ClN4O7S/c1-37-14-15-38-16-17-39-21-10-12-22(13-11-21)40(35,36)32(20-8-6-19(28)7-9-20)18-25(33)30-31-26-23-4-2-3-5-24(23)29-27(26)34/h2-13H,14-18H2,1H3,(H,30,33)(H,29,31,34) SYQHKFJZYINWHL-UHFFFAOYSA-N 50410619 CHEMBL2113208 Oxytocin receptor Rattus 12 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410619&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10121179 163359643 CHEMBL2113208 ZINC28566108 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001986 Clc1ccc(cc1)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1 InChI=1S/C28H29ClN6O5S/c29-20-5-9-22(10-6-20)35(19-26(36)32-33-27-24-3-1-2-4-25(24)31-28(27)37)41(38,39)23-11-7-21(8-12-23)30-13-14-34-15-17-40-18-16-34/h1-12,30H,13-19H2,(H,32,36)(H,31,33,37) SHUVSCHNMZHWMV-UHFFFAOYSA-N 50410621 CHEMBL2113177 Oxytocin receptor Rattus 25 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410621&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10188844 163359645 CHEMBL2113177 ZINC28530757 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001988 CN(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C26H26ClN5O5S/c1-31(2)15-16-37-20-11-13-21(14-12-20)38(35,36)32(19-9-7-18(27)8-10-19)17-24(33)29-30-25-22-5-3-4-6-23(22)28-26(25)34/h3-14H,15-17H2,1-2H3,(H,29,33)(H,28,30,34) LWNJDAOBKCPZOY-UHFFFAOYSA-N 50410622 CHEMBL2113203 Oxytocin receptor Rattus 15 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410622&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10302963 163359646 CHEMBL2113203 ZINC28563052 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001997 CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40) BUKWNCANUKACAQ-UHFFFAOYSA-N 50326722 (Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hydrazinyl)ethyl)sulfamoyl)phenyl)-N-(3-(dimethylamino)propyl)propanamide::3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene)hydrazinyl)ethyl)sulfamoyl)phenyl)-N-(3-(dimethylamino)propyl)propanamide::CHEMBL445816 Oxytocin receptor Rattus 0.67 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326722&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 6918778 123105837 CHEMBL445816 2194 ZINC28562816 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51001999 CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccncc12)c1ccc(Cl)cc1 InChI=1S/C26H27ClN6O5S/c1-32(2)14-3-15-38-20-8-10-21(11-9-20)39(36,37)33(19-6-4-18(27)5-7-19)17-24(34)30-31-25-22-16-28-13-12-23(22)29-26(25)35/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,34)(H,29,31,35) KADSBHRUZZTVJC-UHFFFAOYSA-N 50410626 CHEMBL2113200 Oxytocin receptor Rattus 140 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410626&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11664748 163359650 CHEMBL2113200 ZINC28530980 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51002001 COCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C25H23ClN4O6S/c1-35-14-15-36-19-10-12-20(13-11-19)37(33,34)30(18-8-6-17(26)7-9-18)16-23(31)28-29-24-21-4-2-3-5-22(21)27-25(24)32/h2-13H,14-16H2,1H3,(H,28,31)(H,27,29,32) BLNZMQLSYBZPRO-UHFFFAOYSA-N 50410635 CHEMBL2113211 Oxytocin receptor Rattus 33 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410635&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10302489 163359659 CHEMBL2113211 ZINC28529456 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51002005 CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 InChI=1S/C27H28ClN5O5S/c1-32(2)16-5-17-38-21-12-14-22(15-13-21)39(36,37)33(20-10-8-19(28)9-11-20)18-25(34)30-31-26-23-6-3-4-7-24(23)29-27(26)35/h3-4,6-15H,5,16-18H2,1-2H3,(H,30,34)(H,29,31,35) HIQATIKDFNQXOP-UHFFFAOYSA-N 50410625 CHEMBL2113201 Oxytocin receptor Rattus 4.6 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410625&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10303411 163359649 CHEMBL2113201 ZINC28529325 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51002010 CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)NC(=O)c2ccccc12)c1ccc(Cl)cc1 InChI=1S/C28H28ClN5O6S/c1-33(2)16-5-17-40-21-12-14-22(15-13-21)41(38,39)34(20-10-8-19(29)9-11-20)18-25(35)31-32-26-23-6-3-4-7-24(23)27(36)30-28(26)37/h3-4,6-15H,5,16-18H2,1-2H3,(H,31,35)(H,30,36,37)/b32-26- SBYOJGQINPGOFZ-FSRJSHLRSA-N 50410634 CHEMBL2113189 Oxytocin receptor Rattus 2.7 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50410634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50410634&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 11505842 163359658 CHEMBL2113189 ZINC28562792 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51033966 CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 VWXRQYYUEIYXCZ-OBIMUBPZSA-N 50177595 (2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide::Atosiban::CHEMBL382301::ChEMBL_332615 Oxytocin receptor Rattus 76 ChEMBL 10.1021/jm050645f 10.7270/Q2QF8TN3 16302826 Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Serono Pharmaceutical Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177595&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311010 104063058 CHEMBL382301 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51032764 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1 GTYWGUNQAMYZPF-FAJKJHJLSA-N 50056796 CHEMBL435716::DEAMINOOXYTOCIN Oxytocin receptor Rattus 3.2 ChEMBL 10.1021/jm990090m 10.7270/Q22V2FCX 10780900 Belec, L; Slaninova, J; Lubell, WD Université de Montréal http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056796&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 13242839 103952937 CHEMBL435716 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51065984 CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C InChI=1S/C27H44N4O5S2/c1-20-8-6-7-9-23(20)30-13-15-31(16-14-30)38(35,36)19-27-12-10-21(26(27,2)3)18-24(27)29-25(32)22(28-4)11-17-37(5,33)34/h6-9,21-22,24,28H,10-19H2,1-5H3,(H,29,32)/t21-,22+,24+,27-/m1/s1 CZRITFDAPBAXMY-SMAWTLEESA-N 50435057 CHEMBL2391300 Oxytocin receptor Rattus 9.2 ChEMBL 10.1016/j.bmcl.2012.10.116 10.7270/Q29Z9690 23270988 Smith, AL; Freeman, SM; Voll, RJ; Young, LJ; Goodman, MM Yerkes National Primate Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50435057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50435057&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10483105 175447374 CHEMBL2391300 ZINC27639831 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51065985 Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1 MWIASLNTAGRGGA-ZJPWWDJASA-N 50326719 (S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tolylpiperazin-1-ylsulfonyl)methyl)bicyclo[2.2.1]heptan-2-yl)-4-(methylsulfonyl)butanamide::CHEMBL1253853 Oxytocin receptor Rattus 8.9 ChEMBL 10.1016/j.bmcl.2012.10.116 10.7270/Q29Z9690 23270988 Smith, AL; Freeman, SM; Voll, RJ; Young, LJ; Goodman, MM Yerkes National Primate Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326719&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9872389 123105834 CHEMBL1253853 ZINC03923061 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50635610 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1 IFHSSGUGRIXWQU-NSTWBPGMSA-N 50001309 (cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehydropiperazyl-L-dehydropiperazyl-D(N-methyl)phenylalanyl])(L-365,209)::CHEMBL127686::L-365209 Oxytocin receptor Rattus 7.3 ChEMBL 10.1021/jm00169a001 10.7270/Q2JS9PDK 2163451 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, NP Merck Sharp & Dohme Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001309&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9810632 103915774 CHEMBL127686 2241 ZINC26386665 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057424 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)37(51)43-29(18-11-21-41)38(52)46(3)33(25-28-16-9-6-10-17-28)39(53)47-23-13-20-31(47)36(50)44-30(35(49)45-34)24-27-14-7-5-8-15-27/h5-10,14-17,22,26,29-34H,4,11-13,18-21,23-25,41H2,1-3H3,(H,43,51)(H,44,50)(H,45,49)/t26-,29-,30+,31-,32+,33+,34-/m0/s1 JDOMSHIFFAUNHK-FZTIRJJLSA-N 50001307 18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19,25-heptaaza-tricyclo[19.4.0.0*9,13*]pentacos-24-ene-2,5,8,14,17,20-hexaone::CHEMBL338308 Oxytocin receptor Rattus 6 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001307&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10010253 103915772 CHEMBL338308 ZINC95540780 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057485 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1 ILLSOIRJMQNTIA-YCTRJVDCSA-N 50406692 CHEMBL2112249 Oxytocin receptor Rattus 2.2 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406692&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10078889 163355716 CHEMBL2112249 ZINC95606189 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057536 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C39H50N10O6/c1-3-23(2)33-39(55)49-32(13-8-15-43-49)38(54)48-16-7-6-12-30(48)36(52)45-29(19-25-21-40-22-42-25)37(53)47-17-9-14-31(47)35(51)44-28(34(50)46-33)18-24-20-41-27-11-5-4-10-26(24)27/h4-5,10-11,15,20-23,28-33,41H,3,6-9,12-14,16-19H2,1-2H3,(H,40,42)(H,44,51)(H,45,52)(H,46,50)/t23-,28+,29+,30-,31-,32+,33-/m0/s1 KHZMWMBLYZHOQJ-KXQLWDMUSA-N 81894 Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-D-His-]::J325.349J::L-366,875 Oxytocin receptor Rattus 1.3 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81894&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10372918 131342468 ZINC95536515 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50057545 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C43H56N8O6/c1-4-27(2)37-43(57)50-20-11-10-17-34(50)41(55)51-22-19-44-26-36(51)40(54)48(3)35(23-28-13-6-5-7-14-28)42(56)49-21-12-18-33(49)39(53)46-32(38(52)47-37)24-29-25-45-31-16-9-8-15-30(29)31/h5-9,13-16,25,27,32-37,44-45H,4,10-12,17-24,26H2,1-3H3,(H,46,53)(H,47,52)/t27-,32+,33-,34+,35+,36-,37-/m0/s1 XPKURONBKQLLCO-NNEDNOOKSA-N 50001311 24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydropyrazino[1,2-d]pyrido[1,2-a]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL435021 Oxytocin receptor Rattus 8.4 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001311&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10259652 103915776 CHEMBL435021 ZINC95614617 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50660909 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1 IFHSSGUGRIXWQU-NSTWBPGMSA-N 50001309 (cyclo-[L-propyl-D-phenylalanyl-L-isoleucyl-D-dehydropiperazyl-L-dehydropiperazyl-D(N-methyl)phenylalanyl])(L-365,209)::CHEMBL127686::L-365209 Oxytocin receptor Rattus 18 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001309&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 9810632 103915774 CHEMBL127686 2241 ZINC26386665 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50660910 CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O InChI=1S/C40H53N9O6/c1-3-24(2)34-40(55)49-17-9-7-14-33(49)39(54)48-16-8-6-13-31(48)37(52)45-30(20-26-22-41-23-43-26)38(53)47-18-10-15-32(47)36(51)44-29(35(50)46-34)19-25-21-42-28-12-5-4-11-27(25)28/h4-5,11-12,21-24,29-34,42H,3,6-10,13-20H2,1-2H3,(H,41,43)(H,44,51)(H,45,52)(H,46,50)/t24-,29-,30-,31+,32+,33-,34+/m1/s1 WCNGAVKBHXZVJO-DGPYOIOTSA-N 50368435 CHEMBL1790937 Oxytocin receptor Rattus 6 ChEMBL 10.1021/jm00099a019 10.7270/Q2K64JP2 1331448 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, JB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50368435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50368435&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 56664766 160847537 CHEMBL1790937 ZINC95548199 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061959 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NC1CN2CCC1CC2 InChI=1S/C31H46N4O3S/c1-29(2)24-8-12-31(29,27(19-24)33-28(36)32-26-20-34-15-9-23(26)10-16-34)21-39(37,38)35-17-13-30(14-18-35)11-7-22-5-3-4-6-25(22)30/h3-6,23-24,26-27H,7-21H2,1-2H3,(H2,32,33,36)/t24-,26?,27+,31-/m1/s1 RRGFYPFFXNYKFX-MBCNDWFISA-N 50043083 2-quinuclidin-3-yl ureido}-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]::CHEMBL132210::Isomer-B2-quinuclidin-3-yl ureido}-propionicacid-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethylsulfonyl)spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)] Oxytocin receptor Rattus 47.0 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043083&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10030575 103974554 CHEMBL132210 ZINC27318992 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50068748 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1 InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1 VQAVBHLGXVZOKM-RASJMTDNSA-N 50043194 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)acetamide::CHEMBL338522 Oxytocin receptor Rattus 26 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043194&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10413997 103974665 CHEMBL338522 2246 ZINC03777438 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50674898 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1 InChI=1S/C31H44N4O5S2/c1-29(2)23-9-12-31(29,27(18-23)34-28(36)24(10-17-41(3,37)38)26-19-32-21-33-26)20-42(39,40)35-15-13-30(14-16-35)11-8-22-6-4-5-7-25(22)30/h4-7,19,21,23-24,27H,8-18,20H2,1-3H3,(H,32,33)(H,34,36)/t23-,24?,27+,31-/m1/s1 RWWVMSRMQBBNKT-ORQKKFJMSA-N 50043160 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)-4-methylsulfonylbutanamide::CHEMBL339497 Oxytocin receptor Rattus 11 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043160&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10483940 103974631 CHEMBL339497 ZINC27318327 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50674904 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1 YQVPQHMUUUTVSU-WKJRGHSNSA-N 50043118 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL341289 Oxytocin receptor Rattus 13 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043118&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929299 103974589 CHEMBL341289 ZINC14285470 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50674944 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O InChI=1S/C30H39N5O4S/c1-28(2)21-8-10-30(28,25(15-21)35-26(36)24(33-27(35)37)16-22-17-31-19-32-22)18-40(38,39)34-13-11-29(12-14-34)9-7-20-5-3-4-6-23(20)29/h3-6,17,19,21,25,36H,7-16,18H2,1-2H3,(H,31,32)(H,33,37)/t21-,25+,30-/m1/s1 YQVPQHMUUUTVSU-WKJRGHSNSA-N 50043118 3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-5-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione::CHEMBL341289 Oxytocin receptor Rattus 13.0 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043118&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 91929299 103974589 CHEMBL341289 ZINC14285470 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 50061968 CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1 InChI=1S/C31H44N4O5S2/c1-29(2)23-9-12-31(29,27(18-23)34-28(36)24(10-17-41(3,37)38)26-19-32-21-33-26)20-42(39,40)35-15-13-30(14-16-35)11-8-22-6-4-5-7-25(22)30/h4-7,19,21,23-24,27H,8-18,20H2,1-3H3,(H,32,33)(H,34,36)/t23-,24?,27+,31-/m1/s1 RWWVMSRMQBBNKT-ORQKKFJMSA-N 50043160 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(1H-4-imidazolyl)-4-methylsulfonylbutanamide::CHEMBL339497 Oxytocin receptor Rattus 11 ChEMBL 10.1021/jm00077a002 10.7270/Q27M070W 8258821 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50043160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50043160&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 10483940 103974631 CHEMBL339497 ZINC27318327 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51120466 Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1 InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37) IKENVDNFQMCRTR-UHFFFAOYSA-N 85095 CAS_151171::CONIVAPTAN::NSC_151171::YM087 Oxytocin receptor Rattus 44 ChEMBL 10.1021/acs.jmedchem.8b00697 10.7270/Q24J0HRF 30199637 Frantz, MC; Pellissier, LP; Pflimlin, E; Loison, S; Gandía, J; Marsol, C; Durroux, T; Mouillac, B; Becker, JAJ; Le Merrer, J; Valencia, C; Villa, P; Bonnet, D; Hibert, M UMR7200 CNRS/Universit£ de Strasbourg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85095&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 151171 136351195 DB00872 ZINC12503187 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5 51120558 Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3 JXKQHDZUZGKDGO-UHFFFAOYSA-N 50177593 (5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-[2-chloro-4-(3-methyl-pyrazol-1-yl)-phenyl]-methanone::(5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10(11H)-yl)(2-chloro-4-(3-methyl-1H-pyrazol-1-yl)phenyl)methanone::CHEMBL363910::VNA-932::WAY-VNA-932 Oxytocin receptor Rattus 55 ChEMBL 10.1021/acs.jmedchem.8b00697 10.7270/Q24J0HRF 30199637 Frantz, MC; Pellissier, LP; Pflimlin, E; Loison, S; Gandía, J; Marsol, C; Durroux, T; Mouillac, B; Becker, JAJ; Le Merrer, J; Valencia, C; Villa, P; Bonnet, D; Hibert, M UMR7200 CNRS/Universit£ de Strasbourg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000894&target=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177593&enzyme=Oxytocin+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311500 104063056 CHEMBL363910 3537 ZINC01483724 1 MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA Oxytocin receptor OXYR_RAT P70536 Q53ZC5