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 159856 CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37) XFDFCJWKZDTZJJ-UHFFFAOYSA-N 82261 COMPOUND I Substance-K receptor Cricetidae sp. 18 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82261&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 90884336 136350233 ZINC34178080 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 159857 CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37) XFDFCJWKZDTZJJ-UHFFFAOYSA-N 82261 COMPOUND I Substance-K receptor Cricetidae sp. 17 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82261&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 90884336 136350233 ZINC34178080 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 161134 CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 DZOJBGLFWINFBF-UHFFFAOYSA-N 50051290 CHEMBL299377::N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide::SR 142801::SR 142806::SR-142801 Substance-K receptor Cricetidae sp. 2000 PDSP Ki 10.1016/0024-3205(94)00413-m 10.7270/Q2PV6HV4 7830490 Emonds-Alt, X; Bichon, D; Ducoux, JP; Heaulme, M; Miloux, B; Poncelet, M; Proietto, V; Van Broeck, D; Vilain, P; Neliat, G Sanofi Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051290&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9808948 103948288 CHEMBL299377 ZINC14951892 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 161137 CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 DZOJBGLFWINFBF-UHFFFAOYSA-N 50051290 CHEMBL299377::N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide::SR 142801::SR 142806::SR-142801 Substance-K receptor Cricetidae sp. 2000 PDSP Ki 10.1016/0024-3205(94)00413-m 10.7270/Q2PV6HV4 7830490 Emonds-Alt, X; Bichon, D; Ducoux, JP; Heaulme, M; Miloux, B; Poncelet, M; Proietto, V; Van Broeck, D; Vilain, P; Neliat, G Sanofi Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051290&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9808948 103948288 CHEMBL299377 ZINC14951892 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 159859 Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1 InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26) VWEUOYMINPUFMD-UHFFFAOYSA-N 82263 COMPOUND II Substance-K receptor Cricetidae sp. 41 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82263&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10389461 136350235 ZINC38734337 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 159860 Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1 InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26) VWEUOYMINPUFMD-UHFFFAOYSA-N 82263 COMPOUND II Substance-K receptor Cricetidae sp. 39 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82263&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10389461 136350235 ZINC38734337 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 159862 CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26) VVIXONDSGVZWSZ-UHFFFAOYSA-N 82262 ZM253,270 Substance-K receptor Cricetidae sp. 2.2 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82262&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 90819699 136350234 5771 ZINC03942516 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 159863 CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26) VVIXONDSGVZWSZ-UHFFFAOYSA-N 82262 ZM253,270 Substance-K receptor Cricetidae sp. 2 PDSP Ki 10.7270/Q2VQ316V 7562491 Aharony, D; Buckner, CK; Ellis, JL; Ghanekar, SV; Graham, A; Kays, JS; Little, J; Meeker, S; Miller, SC; Undem, BJ Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82262&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 90819699 136350234 5771 ZINC03942516 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 171640 CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)C(C)O InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70) BEWCDVTWUFJSSM-UHFFFAOYSA-N 84954 CAS_6437864::FK 224::NSC_6437864 Substance-K receptor Cricetidae sp. 3591 PDSP Ki 10.7270/Q2KD1WF0 8627566 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP Hoechst Marion Roussel Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=84954&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 6437864 136351054 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 171645 COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1 WZMVQZJKOVPVGZ-XIFFEERXSA-N 50175494 1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide::3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid::CHEMBL330366::MDL 104,335 (S)-enantiomer::MDL-105212 Substance-K receptor Cricetidae sp. 711 PDSP Ki 10.7270/Q2KD1WF0 8627566 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP Hoechst Marion Roussel Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50175494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50175494&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 153996 104061187 CHEMBL330366 ZINC03946365 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 171648 COc1cc(cc(OC)c1OC)C(=O)N1CC[C@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m1/s1 WZMVQZJKOVPVGZ-MGBGTMOVSA-N 50175522 1-{2-[3-((S)-3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide::CHEMBL372587::MDL 105,212 (R)-enantiomer Substance-K receptor Cricetidae sp. 6.98 PDSP Ki 10.7270/Q2KD1WF0 8627566 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP Hoechst Marion Roussel Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50175522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50175522&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9831309 104061215 CHEMBL372587 ZINC03930916 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 171653 CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) HEAUFJZALFKPBA-UHFFFAOYSA-N 81942 CAS_55582::NKA::NSC_55582::Neurokinin alpha::Substance K Substance-K receptor Cricetidae sp. 1.8 PDSP Ki 10.7270/Q2KD1WF0 8627566 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP Hoechst Marion Roussel Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81942&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 55582 131342516 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 171656 CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37) PGKXDIMONUAMFR-UHFFFAOYSA-N 50071112 CHEMBL56835::N-[4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide::SR 48968 Substance-K receptor Cricetidae sp. 7.32 PDSP Ki 10.7270/Q2KD1WF0 8627566 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP Hoechst Marion Roussel Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50071112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50071112&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9850582 103964901 CHEMBL56835 ZINC14951899 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003870 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 IWEYVTFOHKCWJN-ABYGYWHVSA-N 50050641 CHEMBL45340::PD-161182::[(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester Substance-K receptor Cricetidae sp. 790 ChEMBL 10.1016/0960-894X(95)00313-I 10.7270/Q2QF8TCH Boden, P; Eden, J; Hodgson, J; Horwell, D; Pritchard, M; Raphy, J; Suman-Chauhan, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050641&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9915428 103947762 CHEMBL45340 ZINC03942515 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003873 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1 ZAYADERDILOEBG-ABYGYWHVSA-N 50050652 CHEMBL47146::PD-160946::[(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester Substance-K receptor Cricetidae sp. 1500 ChEMBL 10.1016/0960-894X(95)00313-I 10.7270/Q2QF8TCH Boden, P; Eden, J; Hodgson, J; Horwell, D; Pritchard, M; Raphy, J; Suman-Chauhan, N TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050652&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9914897 103947773 CHEMBL47146 ZINC03823558 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50002913 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCC(N)=O InChI=1S/C33H48N4O5/c1-32(2,3)42-31(41)37-33(4,24-26-19-13-10-14-20-26)30(40)36-27(23-25-17-11-9-12-18-25)29(39)35-22-16-8-6-5-7-15-21-28(34)38/h9-14,17-20,27H,5-8,15-16,21-24H2,1-4H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,41)/t27-,33+/m1/s1 HJAQMJATMQOAIW-SYBRLPANSA-N 50282774 CHEMBL295301::{(S)-1-[(R)-1-(8-Carbamoyl-octylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-2-phenyl-ethyl}-carbamic acid tert-butyl ester Substance-K receptor Cricetidae sp. 5020 ChEMBL 10.1016/S0960-894X(00)80360-1 10.7270/Q22V2GMG Boden, P; Eden, J; Hodgson, J; Horwell, D; Howson, W; Hughes, J; McKnight, A; Meecham, K; Pritchard, M; Raphy, J; Ratcliffe, G; Suman-Chauhan, N; Woodruff, G TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282774&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44291515 104124448 CHEMBL295301 ZINC29409165 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50002920 CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)35-32(4,24-26-19-13-10-14-20-26)29(38)34-27(23-25-17-11-9-12-18-25)28(37)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t27-,32+/m1/s1 ZYOSMLUSASXSFL-ZUKKLESISA-N 50282782 CHEMBL297327::{(S)-1-[(R)-1-(8-Hydroxy-octylcarbamoyl)-2-phenyl-ethylcarbamoyl]-1-methyl-2-phenyl-ethyl}-carbamic acid tert-butyl ester Substance-K receptor Cricetidae sp. 6160 ChEMBL 10.1016/S0960-894X(00)80360-1 10.7270/Q22V2GMG Boden, P; Eden, J; Hodgson, J; Horwell, D; Howson, W; Hughes, J; McKnight, A; Meecham, K; Pritchard, M; Raphy, J; Ratcliffe, G; Suman-Chauhan, N; Woodruff, G TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282782&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44291788 104124456 CHEMBL297327 ZINC29404662 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50002921 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1 BYVRLIUFCGUMSP-XYFQYJLHSA-N 50050649 CHEMBL444832::{(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-ureido-heptylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester Substance-K receptor Cricetidae sp. 6540 ChEMBL 10.1016/S0960-894X(00)80360-1 10.7270/Q22V2GMG Boden, P; Eden, J; Hodgson, J; Horwell, D; Howson, W; Hughes, J; McKnight, A; Meecham, K; Pritchard, M; Raphy, J; Ratcliffe, G; Suman-Chauhan, N; Woodruff, G TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050649&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311350 103947770 CHEMBL444832 2125 ZINC03916004 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003098 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1 FHHJIELOJQJHCG-JNRWAQIZSA-N 50283252 (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL311405 Substance-K receptor Cricetidae sp. 3288 ChEMBL 10.1016/0960-894X(94)85022-4 10.7270/Q2959HHG Horwell, DC; Nichols, PD; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283252&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 162632 104124926 CHEMBL311405 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003102 C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O InChI=1S/C43H59N9O9/c1-4-5-8-17-29(38(45)56)49-42(60)32(22-26(2)3)48-37(55)25-46-39(57)33(23-27-13-9-6-10-14-27)51-43(61)34(24-28-15-11-7-12-16-28)52-41(59)31(18-20-35(44)53)50-40(58)30-19-21-36(54)47-30/h4-7,9-16,26,29-34H,8,17-25H2,1-3H3,(H2,44,53)(H2,45,56)(H,46,57)(H,47,54)(H,48,55)(H,49,60)(H,50,58)(H,51,61)(H,52,59)/b5-4+/t29-,30-,31-,32-,33-,34-/m0/s1 DSZWJUAPIPRUDO-IPFBOOAKSA-N 50283255 (S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-pentanedioic acid 5-amide 1-({(S)-1-[(S)-1-({[(S)-1-((E)-(S)-1-carbamoyl-hex-4-enylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-amide)::CHEMBL2369767 Substance-K receptor Cricetidae sp. 2903 ChEMBL 10.1016/0960-894X(94)85022-4 10.7270/Q2959HHG Horwell, DC; Nichols, PD; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283255&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 73345409 104124929 CHEMBL2369767 ZINC95541877 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003106 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1 FOTNQQWAHYIBKE-CVUOCSEZSA-N 50283257 (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL306072 Substance-K receptor Cricetidae sp. 1616 ChEMBL 10.1016/0960-894X(94)85022-4 10.7270/Q2959HHG Horwell, DC; Nichols, PD; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283257&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44312402 104124931 CHEMBL306072 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003112 CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O InChI=1S/C45H66N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h7-8,10-17,27,31-36H,5-6,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,33-,34-,35-,36-/m0/s1 CAJHISVZIBKHHS-NGTAMTFRSA-N 50283253 (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-hexyl)-amide::CHEMBL307433 Substance-K receptor Cricetidae sp. 637 ChEMBL 10.1016/0960-894X(94)85022-4 10.7270/Q2959HHG Horwell, DC; Nichols, PD; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283253&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44312668 104124927 CHEMBL307433 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003115 C\C=C\CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(N)=O InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1 BDESPKAEHLWLOL-UVFDDTEOSA-N 50283250 (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((E)-(S)-1-carbamoyl-hex-4-enyl)-amide::CHEMBL449091 Substance-K receptor Cricetidae sp. 1370 ChEMBL 10.1016/0960-894X(94)85022-4 10.7270/Q2959HHG Horwell, DC; Nichols, PD; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283250&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44312669 104124924 CHEMBL449091 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003359 O=C(CCc1c[nH]c2ccccc12)N1CCC(=O)C(Cc2ccccc2)C1 InChI=1S/C23H24N2O2/c26-22-12-13-25(16-19(22)14-17-6-2-1-3-7-17)23(27)11-10-18-15-24-21-9-5-4-8-20(18)21/h1-9,15,19,24H,10-14,16H2 ABVRPWLCNGXHIF-UHFFFAOYSA-N 50283964 3-Benzyl-1-(3-1H-indol-3-yl-propionyl)-piperidin-4-one::CHEMBL150346 Substance-K receptor Cricetidae sp. 6900 ChEMBL 10.1016/0960-894X(94)80030-8 10.7270/Q2BV7GKD Horwell, DC; Lennon, IC; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283964&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44366600 104125621 CHEMBL150346 ZINC27625905 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50002248 CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1 PGKXDIMONUAMFR-AREMUKBSSA-N 50071484 CHEMBL308148::N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide::N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide::Saredutant Substance-K receptor Cricetidae sp. 1.2 ChEMBL 10.1016/S0960-894X(00)80694-0 10.7270/Q2N29WW1 Emonds-Alt, X; Proietto, V; Broeck, DV; Vilain, P; Advenier, C; Neliat, G; Fur, GL; Brelère, JC TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50071484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50071484&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 104974 103965218 CHEMBL308148 2111 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003362 O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12 InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2 YDRMUTOHCRZGCL-UHFFFAOYSA-N 50283960 1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one::CHEMBL151990 Substance-K receptor Cricetidae sp. 6800 ChEMBL 10.1016/0960-894X(94)80030-8 10.7270/Q2BV7GKD Horwell, DC; Lennon, IC; Roberts, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283960&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 3040489 104125617 CHEMBL151990 ZINC27564308 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004478 COC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1 InChI=1S/C20H19ClN4O3/c1-27-19(26)13-2-7-16-17(12-13)23-20(25-8-10-28-11-9-25)24-18(16)22-15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3,(H,22,23,24) DLRPQGLEJGWWKW-UHFFFAOYSA-N 50285950 4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazoline-7-carboxylic acid methyl ester::CHEMBL97520 Substance-K receptor Cricetidae sp. 820 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285950&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329001 104127521 CHEMBL97520 ZINC26717866 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004479 CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1 InChI=1S/C18H21ClN6O/c1-11(2)15-21-14-16(20-13-5-3-12(19)4-6-13)23-18(24-17(14)22-15)25-7-9-26-10-8-25/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22,23,24) AKSUWOQEYUZANW-UHFFFAOYSA-N 50285955 (4-Chloro-phenyl)-(8-isopropyl-2-morpholin-4-yl-9H-purin-6-yl)-amine::CHEMBL98977 Substance-K receptor Cricetidae sp. 67 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285955&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10022196 104127526 CHEMBL98977 ZINC26734860 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004480 CCc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1 InChI=1S/C17H19ClN6O/c1-2-13-20-14-15(19-12-5-3-11(18)4-6-12)22-17(23-16(14)21-13)24-7-9-25-10-8-24/h3-6H,2,7-10H2,1H3,(H2,19,20,21,22,23) NCEFJTQSAORBEV-UHFFFAOYSA-N 50285944 (4-Chloro-phenyl)-(8-ethyl-2-morpholin-4-yl-9H-purin-6-yl)-amine::CHEMBL97958 Substance-K receptor Cricetidae sp. 520 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285944&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329351 104127515 CHEMBL97958 ZINC26725623 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004481 CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1 InChI=1S/C22H24ClN5O2/c1-14(2)24-21(29)15-3-8-18-19(13-15)26-22(28-9-11-30-12-10-28)27-20(18)25-17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,29)(H,25,26,27) ARCOMIDVSXCMLF-UHFFFAOYSA-N 50285960 4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazoline-7-carboxylic acid isopropylamide::CHEMBL98760 Substance-K receptor Cricetidae sp. 58700 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285960&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329367 104127531 CHEMBL98760 ZINC26733508 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004482 CCCc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1 InChI=1S/C18H21ClN6O/c1-2-3-14-21-15-16(20-13-6-4-12(19)5-7-13)23-18(24-17(15)22-14)25-8-10-26-11-9-25/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22,23,24) BHCLMCDCKVEHIB-UHFFFAOYSA-N 50285943 (4-Chloro-phenyl)-(2-morpholin-4-yl-8-propyl-9H-purin-6-yl)-amine::CHEMBL318254 Substance-K receptor Cricetidae sp. 54 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285943&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10044833 104127514 CHEMBL318254 ZINC26735332 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004483 Clc1ccc(Nc2nc(nc3ccccc23)N2CCOCC2)cc1 InChI=1S/C18H17ClN4O/c19-13-5-7-14(8-6-13)20-17-15-3-1-2-4-16(15)21-18(22-17)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22) WDJQOCMHRCDUPP-UHFFFAOYSA-N 50285953 (4-Chloro-phenyl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine::CHEMBL100264 Substance-K receptor Cricetidae sp. 29500 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285953&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329600 104127524 CHEMBL100264 ZINC26731898 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004484 OC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1 InChI=1S/C19H17ClN4O3/c20-13-2-4-14(5-3-13)21-17-15-6-1-12(18(25)26)11-16(15)22-19(23-17)24-7-9-27-10-8-24/h1-6,11H,7-10H2,(H,25,26)(H,21,22,23) QJFDZMLOPUQPAS-UHFFFAOYSA-N 50285947 4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazoline-7-carboxylic acid::CHEMBL97204 Substance-K receptor Cricetidae sp. 20300 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285947&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329015 104127518 CHEMBL97204 ZINC26722416 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004485 CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCOCC2)C1=O InChI=1S/C19H22ClN5O2/c1-12(2)25-11-15-16(18(25)26)22-19(24-7-9-27-10-8-24)23-17(15)21-14-5-3-13(20)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,21,22,23) INHSVCXPVJAORL-UHFFFAOYSA-N 50285956 4-(4-Chloro-phenylamino)-6-isopropyl-2-morpholin-4-yl-5,6-dihydro-pyrrolo[3,4-d]pyrimidin-7-one::CHEMBL98929 Substance-K receptor Cricetidae sp. 15 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285956&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329517 104127527 CHEMBL98929 ZINC26734023 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004486 Cc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1 InChI=1S/C16H17ClN6O/c1-10-18-13-14(19-10)21-16(23-6-8-24-9-7-23)22-15(13)20-12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22) AXPOPRDPHLQAKM-UHFFFAOYSA-N 50285954 (4-Chloro-phenyl)-(8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-amine::CHEMBL327531 Substance-K receptor Cricetidae sp. 6600 ChEMBL 10.1016/0960-894X(95)00502-K 10.7270/Q2DV1JTQ Jacobs, RT; Mauger, RC; Ulatowski, TG; Aharony, D; Buckner, CK TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50285954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50285954&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44329163 104127525 CHEMBL327531 ZINC26718790 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50004515 COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1 FLNYLINBEZROPL-NSOVKSMOSA-N 50000040 ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(+)(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(-) (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::CHEMBL16192::CP-96,345::CP-96345::i(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1021/jm00092a009 10.7270/Q2SJ1JJF 1378901 Lowe, JA; Drozda, SE; Snider, RM; Longo, KP; Zorn, SH; Morrone, J; Jackson, ER; McLean, S; Bryce, DK; Bordner, J Pfizer Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000040&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 104943 103914739 CHEMBL16192 ZINC19361055 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003795 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O InChI=1S/C40H54N8O9S/c1-23(2)18-31(44-24(3)49)39(56)46-30(16-17-58-4)38(55)45-29(14-15-34(41)50)37(54)48-33(20-26-21-42-28-13-9-8-12-27(26)28)40(57)47-32(36(53)43-22-35(51)52)19-25-10-6-5-7-11-25/h5-13,21,23,29-33,42H,14-20,22H2,1-4H3,(H2,41,50)(H,43,53)(H,44,49)(H,45,55)(H,46,56)(H,47,57)(H,48,54)(H,51,52)/t29-,30-,31-,32-,33-/m0/s1 FHOAMLLDDSSXRG-ZTTXAYQISA-N 50284764 CHEMBL36402::L-659874::{(S)-2-[(S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoylamino)-4-methylsulfanyl-butyrylamino]-4-carbamoyl-butyrylamino}-3-(1H-indol-3-yl)-propionylamino]-3-phenyl-propionylamino}-acetic acid Substance-K receptor Cricetidae sp. 19800 ChEMBL 10.1016/0960-894X(95)00254-Q 10.7270/Q2GX4C27 Horwell, DC; Howson, W; Naylor, D; Wilems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50284764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50284764&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44281988 104126335 CHEMBL36402 ZINC95611944 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003796 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 InChI=1S/C28H28N4O4/c29-26(33)24(15-19-9-3-1-4-10-19)31-27(34)25(16-21-17-30-23-14-8-7-13-22(21)23)32-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,30H,15-16,18H2,(H2,29,33)(H,31,34)(H,32,35) MOFIHHRIGQKWJP-UHFFFAOYSA-N 50283777 BDBM50284761::CHEMBL295022::CHEMBL32248::[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester Substance-K receptor Cricetidae sp. 5200 ChEMBL 10.1016/0960-894X(95)00254-Q 10.7270/Q2GX4C27 Horwell, DC; Howson, W; Naylor, D; Wilems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50283777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50283777&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44281769 104125434 CHEMBL295022CHEMBL32248 ZINC19861699 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003797 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1 CFDNUNSOUUFTQO-HPMAGDRPSA-N 50366377 CHEMBL334721::MEN-10627 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1016/0960-894X(95)00254-Q 10.7270/Q2GX4C27 Horwell, DC; Howson, W; Naylor, D; Wilems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366377&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10327792 160845479 CHEMBL334721 ZINC95611149 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50003798 O=C(Cc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1 InChI=1S/C21H22N2O/c24-21(13-18-14-22-20-9-5-4-8-19(18)20)23-11-10-17(15-23)12-16-6-2-1-3-7-16/h1-9,14,17,22H,10-13,15H2 TYSLMXDXDTVHKA-UHFFFAOYSA-N 50284763 1-(3-Benzyl-pyrrolidin-1-yl)-2-(1H-indol-3-yl)-ethanone::CHEMBL32940 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1016/0960-894X(95)00254-Q 10.7270/Q2GX4C27 Horwell, DC; Howson, W; Naylor, D; Wilems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50284763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50284763&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10336036 104126334 CHEMBL32940 ZINC29228148 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50006435 CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1 CFDNUNSOUUFTQO-HPMAGDRPSA-N 50366377 CHEMBL334721::MEN-10627 Substance-K receptor Cricetidae sp. 0.079000 ChEMBL 10.1016/S0960-894X(96)00570-7 10.7270/Q2KD1ZDC Horwell, DC; Naylor, D; Willems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366377&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10327792 160845479 CHEMBL334721 ZINC95611149 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50006436 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C20H22N4O2/c21-16(11-14-12-23-17-9-5-4-8-15(14)17)20(26)24-18(19(22)25)10-13-6-2-1-3-7-13/h1-9,12,16,18,23H,10-11,21H2,(H2,22,25)(H,24,26)/t16-,18-/m0/s1 CIZAZGNGSGBRIV-WMZOPIPTSA-N 50289293 1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-2-amino-3-(1H-3-indolyl)-(2S)-propanamide::CHEMBL118328 Substance-K receptor Cricetidae sp. 5200 ChEMBL 10.1016/S0960-894X(96)00570-7 10.7270/Q2KD1ZDC Horwell, DC; Naylor, D; Willems, HM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50289293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50289293&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44345938 104130864 CHEMBL118328 ZINC27108866 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50006805 O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1 InChI=1S/C27H27N3O3/c31-26(28-16-15-20-9-3-1-4-10-20)25(17-22-18-29-24-14-8-7-13-23(22)24)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1 GTTXOKRFAXQYEU-VWLOTQADSA-N 50289801 CHEMBL292766::[(S)-2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid benzyl ester Substance-K receptor Cricetidae sp. 3270 ChEMBL 10.1016/S0960-894X(97)00346-6 10.7270/Q28W3DSG Horwell, D; Kneen, C; Pritchard, M; Ratcliffe, G; Roberts, E; Suman-Chauhan, N; Steiner, K; Betche, H TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50289801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50289801&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301871 104131372 CHEMBL292766 ZINC09804746 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50046288 CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1 ZAYADERDILOEBG-ABYGYWHVSA-N 50050652 CHEMBL47146::PD-160946::[(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester Substance-K receptor Cricetidae sp. 1500 ChEMBL 10.1021/jm950892r 10.7270/Q2CJ8F4R 8648606 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Cambridge University Forvie Site http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050652&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9914897 103947773 CHEMBL47146 ZINC03823558 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50046289 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCNC(N)=O InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1 BYVRLIUFCGUMSP-XYFQYJLHSA-N 50050649 CHEMBL444832::{(S)-1-[(R)-1-Methyl-2-phenyl-1-(7-ureido-heptylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester Substance-K receptor Cricetidae sp. 6540 ChEMBL 10.1021/jm950892r 10.7270/Q2CJ8F4R 8648606 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Cambridge University Forvie Site http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050649&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311350 103947770 CHEMBL444832 2125 ZINC03916004 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50046292 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-32(4,24-26-19-13-10-14-20-26)29(38)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,36H,5-8,15-16,21-24H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t27-,32+/m0/s1 AGUIGLQOXXRHOB-QVWWMRLHSA-N 50050642 CHEMBL296014::{(S)-1-[(R)-1-(8-Hydroxy-octylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester Substance-K receptor Cricetidae sp. 6160 ChEMBL 10.1021/jm950892r 10.7270/Q2CJ8F4R 8648606 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Cambridge University Forvie Site http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050642&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44291015 103947763 CHEMBL296014 ZINC03932744 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50046294 CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1 IWEYVTFOHKCWJN-ABYGYWHVSA-N 50050641 CHEMBL45340::PD-161182::[(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester Substance-K receptor Cricetidae sp. 790 ChEMBL 10.1021/jm950892r 10.7270/Q2CJ8F4R 8648606 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Cambridge University Forvie Site http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050641&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9915428 103947762 CHEMBL45340 ZINC03942515 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50046297 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 NHXYSAFTNPANFK-HDMCBQFHSA-N 50079412 (NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B)::CHEMBL437797::NKB::Neurokinin B Substance-K receptor Cricetidae sp. 3.6 ChEMBL 10.1021/jm950892r 10.7270/Q2CJ8F4R 8648606 Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Cambridge University Forvie Site http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079412&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311312 103971664 CHEMBL437797 2090 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057559 CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C38H56N8O9/c1-22(2)15-26(19-41-28(34(40)51)16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1 ZJTJPPYYVAPJID-HLYNNXGTSA-N 50001437 3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-2-phenyl-ethylamino)-methyl]-3-methyl-butylcarbamoyl}-methyl)-carbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid::CHEMBL340743 Substance-K receptor Cricetidae sp. 9 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001437&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10259606 103915902 CHEMBL340743 ZINC95611434 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057560 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1 NHXYSAFTNPANFK-HDMCBQFHSA-N 50079412 (NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2::Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B)::CHEMBL437797::NKB::Neurokinin B Substance-K receptor Cricetidae sp. 18 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079412&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311312 103971664 CHEMBL437797 2090 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057561 CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C42H64N8O9/c1-6-19-50(34(38(44)55)22-29-15-11-8-12-16-29)24-30(20-26(2)3)46-35(52)17-18-45-42(59)37(27(4)5)49-40(57)32(21-28-13-9-7-10-14-28)47-41(58)33(25-51)48-39(56)31(43)23-36(53)54/h7-16,26-27,30-34,37,51H,6,17-25,43H2,1-5H3,(H2,44,55)(H,45,59)(H,46,52)(H,47,58)(H,48,56)(H,49,57)(H,53,54)/t30-,31-,32-,33-,34-,37-/m0/s1 IUHIOVLNWRFEQH-VGNPQVDOSA-N 50001435 3-Amino-N-[1-(1-{1-[2-(1-{[(1-carbamoyl-2-phenyl-ethyl)-propyl-amino]-methyl}-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid::CHEMBL339591 Substance-K receptor Cricetidae sp. 1 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001435&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10033398 103915900 CHEMBL339591 ZINC95611392 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057562 CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C36H60N8O9/c1-20(2)14-24(18-40-26(32(38)49)15-21(3)4)41-29(46)12-13-39-36(53)31(22(5)6)44-34(51)27(16-23-10-8-7-9-11-23)42-35(52)28(19-45)43-33(50)25(37)17-30(47)48/h7-11,20-22,24-28,31,40,45H,12-19,37H2,1-6H3,(H2,38,49)(H,39,53)(H,41,46)(H,42,52)(H,43,50)(H,44,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1 PZUFIKPNHUHVHX-POOCDACNSA-N 50001442 3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methyl-butylcarbamoyl}-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL340880 Substance-K receptor Cricetidae sp. 108 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001442&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10485206 103915907 CHEMBL340880 ZINC27312802 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057563 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C35H58N8O9/c1-19(2)12-25(31(37)48)42-33(50)26(13-20(3)4)41-28(45)17-39-35(52)30(21(5)6)38-16-23(14-22-10-8-7-9-11-22)40-34(51)27(18-44)43-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,51)(H,41,45)(H,42,50)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1 LKKVBBKSWJHIPS-CJQGIMJOSA-N 50001446 3-Amino-N-(1-{1-benzyl-2-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylamino]-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL128175 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001446&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10485118 103915911 CHEMBL128175 ZINC27315254 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057564 CCCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](CC(C)C)C(N)=O InChI=1S/C38H64N8O9/c1-8-14-46(30(34(40)51)16-23(4)5)20-26(15-22(2)3)42-31(48)19-41-38(55)33(24(6)7)45-36(53)28(17-25-12-10-9-11-13-25)43-37(54)29(21-47)44-35(52)27(39)18-32(49)50/h9-13,22-24,26-30,33,47H,8,14-21,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,54)(H,44,52)(H,45,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1 BJJQIDLSWPHFTF-HLYNNXGTSA-N 50001454 3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-propyl-amino]-methyl}-3-methyl-butylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL128854 Substance-K receptor Cricetidae sp. 103 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001454&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10010429 103915919 CHEMBL128854 ZINC95549229 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057565 CC(C)C[C@H](NCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O InChI=1S/C35H58N8O9/c1-19(2)14-24(30(37)47)40-32(49)25(15-20(3)4)38-12-13-39-35(52)29(21(5)6)43-33(50)26(16-22-10-8-7-9-11-22)41-34(51)27(18-44)42-31(48)23(36)17-28(45)46/h7-11,19-21,23-27,29,38,44H,12-18,36H2,1-6H3,(H2,37,47)(H,39,52)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)/t23-,24-,25-,26-,27-,29-/m0/s1 OHIXPWYTOZKZJQ-TXHOTXIUSA-N 50001436 3-Amino-N-{1-[1-(1-{2-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylamino]-ethylcarbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL262731 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001436&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10395197 103915901 CHEMBL262731 ZINC27315910 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057566 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C35H56N8O10/c1-18(2)12-23(30(37)48)40-32(50)24(13-19(3)4)39-27(45)16-38-35(53)29(20(5)6)43-33(51)25(14-21-10-8-7-9-11-21)41-34(52)26(17-44)42-31(49)22(36)15-28(46)47/h7-11,18-20,22-26,29,44H,12-17,36H2,1-6H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1 OCRFLRIKYQTXJI-WTWMNNMUSA-N 50001449 3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL341065 Substance-K receptor Cricetidae sp. 136 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001449&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 15042800 103915914 CHEMBL341065 ZINC27315089 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057567 CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C36H60N8O9/c1-20(2)13-24(18-44(7)28(32(38)49)14-21(3)4)40-29(46)17-39-36(53)31(22(5)6)43-34(51)26(15-23-11-9-8-10-12-23)41-35(52)27(19-45)42-33(50)25(37)16-30(47)48/h8-12,20-22,24-28,31,45H,13-19,37H2,1-7H3,(H2,38,49)(H,39,53)(H,40,46)(H,41,52)(H,42,50)(H,43,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1 SBNNIKQEVVMLRB-POOCDACNSA-N 50001438 3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-methyl-amino]-methyl}-3-methyl-butylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL128521 Substance-K receptor Cricetidae sp. 193 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001438&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10395276 103915903 CHEMBL128521 ZINC03934709 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057568 CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C39H58N8O9/c1-23(2)17-27(21-43-29(35(41)52)18-25-11-7-5-8-12-25)44-32(49)15-16-42-39(56)34(24(3)4)47-37(54)30(19-26-13-9-6-10-14-26)45-38(55)31(22-48)46-36(53)28(40)20-33(50)51/h5-14,23-24,27-31,34,43,48H,15-22,40H2,1-4H3,(H2,41,52)(H,42,56)(H,44,49)(H,45,55)(H,46,53)(H,47,54)(H,50,51)/t27-,28-,29-,30-,31-,34-/m0/s1 XGNOZFBFCAKWQW-HWKKFYSMSA-N 50001455 3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-2-phenyl-ethylamino)-methyl]-3-methyl-butylcarbamoyl}-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL126776 Substance-K receptor Cricetidae sp. 10 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001455&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10327914 103915920 CHEMBL126776 ZINC95548286 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057569 CSCC[C@H](NC[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C34H56N8O9S/c1-19(2)13-22(16-37-24(30(36)47)11-12-52-5)39-27(44)17-38-34(51)29(20(3)4)42-32(49)25(14-21-9-7-6-8-10-21)40-33(50)26(18-43)41-31(48)23(35)15-28(45)46/h6-10,19-20,22-26,29,37,43H,11-18,35H2,1-5H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,50)(H,41,48)(H,42,49)(H,45,46)/t22-,23-,24-,25-,26-,29-/m0/s1 CKZZWDUKJJHIHW-WTWMNNMUSA-N 50001440 3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methylsulfanyl-propylamino)-methyl]-3-methyl-butylcarbamoyl}-methyl)-carbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid::CHEMBL339615 Substance-K receptor Cricetidae sp. 50 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001440&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10101612 103915905 CHEMBL339615 ZINC95611387 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057570 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 ADNPLDHMAVUMIW-CUZNLEPHSA-N 50001450 (SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2::Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met NH2::Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2::Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P)::Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P)::Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine::ArgProLysProGlnGlnPhePheGlyLeuMet::CHEMBL235363::H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2::H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P)::Substance P::Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-MetNH2)::Substance P analogue::tachykinin substance P (SP) Substance-K receptor Cricetidae sp. 148 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001450&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 36511 103915915 CHEMBL235363 2098 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057571 CCN(C[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](CC(C)C)C(N)=O InChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1 GGUJARYCOWWRCL-CEQHRARPSA-N 50001453 3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-ethyl-amino]-methyl}-3-methyl-butylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL336849 Substance-K receptor Cricetidae sp. 277 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001453&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10055928 103915918 CHEMBL336849 ZINC95611214 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057572 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C35H58N8O9/c1-19(2)12-24(31(37)48)40-33(50)25(13-20(3)4)39-29(45)17-38-16-27(21(5)6)42-34(51)26(14-22-10-8-7-9-11-22)41-35(52)28(18-44)43-32(49)23(36)15-30(46)47/h7-11,19-21,23-28,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,45)(H,40,50)(H,41,52)(H,42,51)(H,43,49)(H,46,47)/t23-,24-,25-,26-,27+,28-/m0/s1 BPSIZCFBTKYDFH-FVBBHNFOSA-N 50001448 3-Amino-N-[1-(1-{1-[({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-amino)-methyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid::CHEMBL339941 Substance-K receptor Cricetidae sp. 5662 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001448&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10055770 103915913 CHEMBL339941 ZINC27314377 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057573 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C35H58N8O9/c1-19(2)12-25(31(37)48)42-34(51)27(13-20(3)4)41-28(45)17-39-35(52)30(21(5)6)43-33(50)26(14-22-10-8-7-9-11-22)38-16-23(18-44)40-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,49)(H,41,45)(H,42,51)(H,43,50)(H,46,47)/t23-,24+,25+,26+,27+,30+/m1/s1 PFHBMJQWZOEYKW-GSPGWMPHSA-N 50001452 3-Amino-N-(2-{1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylamino}-1-hydroxymethyl-ethyl)-succinamic acid::CHEMBL409334 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001452&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 10439958 103915917 CHEMBL409334 ZINC27309986 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057574 CC(C)C[C@@H](CN([C@@H](CC(C)C)C(N)=O)C(=O)CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C40H66N8O10/c1-22(2)14-27(20-48(33(51)16-24(5)6)31(36(42)54)15-23(3)4)44-32(50)19-43-40(58)35(25(7)8)47-38(56)29(17-26-12-10-9-11-13-26)45-39(57)30(21-49)46-37(55)28(41)18-34(52)53/h9-13,22-25,27-31,35,49H,14-21,41H2,1-8H3,(H2,42,54)(H,43,58)(H,44,50)(H,45,57)(H,46,55)(H,47,56)(H,52,53)/t27-,28-,29-,30-,31-,35-/m0/s1 PAGKTZVACGXGNS-LMOUFGHUSA-N 50001444 3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-butyl)-(3-methyl-butyryl)-amino]-methyl}-3-methyl-butylcarbamoyl)-methyl]-carbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL129301 Substance-K receptor Cricetidae sp. 162 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001444&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 44351724 103915909 CHEMBL129301 ZINC95549228 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057575 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 HEAUFJZALFKPBA-JPQUDPSNSA-N 50001447 CHEMBL217406::His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2::His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2(NeurokininA) Substance-K receptor Cricetidae sp. 1 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001447&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 5311311 103915912 CHEMBL217406 2089 C16097 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057576 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H,45,46)/t21-,22-,23-,24-,25-,28-/m0/s1 YLVSTHFZZCHRCL-ORUZXOCWSA-N 50001451 3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL126294 Substance-K receptor Cricetidae sp. 6 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001451&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 122230 103915916 CHEMBL126294 ZINC95540755 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057577 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NCCCC(O)=O)C(C)C)C(N)=O InChI=1S/C35H57N7O9/c1-20(2)15-24(31(36)47)40-32(48)25(16-21(3)4)39-28(44)18-38-35(51)30(22(5)6)42-33(49)26(17-23-11-8-7-9-12-23)41-34(50)27(19-43)37-14-10-13-29(45)46/h7-9,11-12,20-22,24-27,30,37,43H,10,13-19H2,1-6H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,48)(H,41,50)(H,42,49)(H,45,46)/t24-,25-,26-,27-,30-/m0/s1 OKXLCQCBXLVKMG-DJNSEWAMSA-N 50001441 4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethylamino)-butyric acid::CHEMBL340847 Substance-K receptor Cricetidae sp. 1652 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001441&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 15042801 103915906 CHEMBL340847 ZINC27308616 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057578 CC(C)C[C@H](NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O InChI=1S/C38H56N8O9/c1-22(2)15-28(34(40)51)41-19-26(16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1 OYLGODCMXMYQFD-HLYNNXGTSA-N 50001439 3-Amino-N-(1-{1-[1-({[1-benzyl-2-(1-carbamoyl-3-methyl-butylamino)-ethylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL337970 Substance-K receptor Cricetidae sp. >10000 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001439&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9987740 103915904 CHEMBL337970 ZINC95611306 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144 50057579 CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C InChI=1S/C35H58N8O9/c1-19(2)12-23(16-38-25(31(37)48)13-20(3)4)40-28(45)17-39-35(52)30(21(5)6)43-33(50)26(14-22-10-8-7-9-11-22)41-34(51)27(18-44)42-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,45)(H,41,51)(H,42,49)(H,43,50)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1 PWZNYVOVYOCFLQ-CJQGIMJOSA-N 50001443 3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methyl-butylcarbamoyl}-methyl)-carbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-hydroxy-ethyl]-succinamic acid::CHEMBL341015 Substance-K receptor Cricetidae sp. 115 ChEMBL 10.1021/jm00099a024 10.7270/Q2FF3SZB 1331450 Harbeson, SL; Shatzer, SA; Le, TB; Buck, SH Marion Merrell Dow Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000786&target=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001443&enzyme=Substance-K+receptor&column=ki&startPg=0&Increment=50&submit=Search 9940218 103915908 CHEMBL341015 ZINC03934708 1 MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP Substance-K receptor NK2R_MESAU P51144