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
156404	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	Macaca mulatta	 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=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156408	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	Macaca mulatta	 8.1								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=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156412	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	Macaca mulatta	 17								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=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156416	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	Macaca mulatta	 33								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=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156420	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	Macaca mulatta	 4.7								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=81893	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156424	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	Macaca mulatta	 2.3								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=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494							
156428	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	Macaca mulatta	 6.4								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=81891	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000895&target=Oxytocin+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	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA		Oxytocin receptor	OXYR_MACMU	P56494