Found 36 hits with Last Name = 'sandhu' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50326709
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 | PDB
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| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50326709
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 | Reactome pathway
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370216
(CHEMBL1744084)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1 | PDB
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| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370213
(CHEMBL1744083)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O |r,c:20| Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 | PDB
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| 1.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(GUINEA PIG) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
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| Article
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370213
(CHEMBL1744083)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O |r,c:20| Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 | Reactome pathway
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| 1.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370215
(CHEMBL1744082)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 | PDB
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| 5.73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370217
(CHEMBL1744085)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 |r,c:11| Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 | PDB
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| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370217
(CHEMBL1744085)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 |r,c:11| Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 | Reactome pathway
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(mouse) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
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| 17.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370215
(CHEMBL1744082)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 | Reactome pathway
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| 18.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127445
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C32H44N6O2/c1-4-20-38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-21-18-25(19-22-37)36(2)3/h8-9,12-17,23,25,30H,4-7,10-11,18-22H2,1-3H3,(H2,33,35,40) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127446
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C37H40N6O2/c1-2-24-43-34-11-7-6-10-32(34)33(17-12-27-8-4-3-5-9-27)40-35(36(43)44)41-37(45)39-30-13-15-31(16-14-30)42-25-20-29(21-26-42)28-18-22-38-23-19-28/h3-11,13-16,18-19,22-23,29,35H,2,12,17,20-21,24-26H2,1H3,(H2,39,41,45) | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(mouse) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
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| 82.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127442
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43) | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127448
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccccn2)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C34H41N7O2/c1-2-20-41-29-13-7-6-12-28(29)31(25-10-4-3-5-11-25)37-32(33(41)42)38-34(43)36-26-15-17-27(18-16-26)39-21-23-40(24-22-39)30-14-8-9-19-35-30/h6-9,12-19,25,32H,2-5,10-11,20-24H2,1H3,(H2,36,38,43) | PDB
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| 97.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127449
(CHEMBL30525 | iN-(4-[1,4']Bipiperidinyl-1'-yl-phen...)Show SMILES O=C(CCCN1c2ccccc2C(=NCC1=O)C1CCCCC1)Nc1ccc(cc1)N1CCC(CC1)N1CCCCC1 |c:13| Show InChI InChI=1S/C35H47N5O2/c41-33(37-28-15-17-29(18-16-28)39-24-19-30(20-25-39)38-21-7-2-8-22-38)14-9-23-40-32-13-6-5-12-31(32)35(36-26-34(40)42)27-10-3-1-4-11-27/h5-6,12-13,15-18,27,30H,1-4,7-11,14,19-26H2,(H,37,41) | PDB
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| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370214
(CHEMBL1788318)Show SMILES CCCN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m1/s1 | PDB
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| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
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PC sid
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| 2.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
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| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127444
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccccc2)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C35H42N6O2/c1-2-21-41-31-16-10-9-15-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-17-19-29(20-18-27)40-24-22-39(23-25-40)28-13-7-4-8-14-28/h4,7-10,13-20,26,33H,2-3,5-6,11-12,21-25H2,1H3,(H2,36,38,43) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127447
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCCCC2)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C30H39N5O2/c1-2-19-35-26-14-8-7-13-25(26)27(22-11-5-3-6-12-22)32-28(29(35)36)33-30(37)31-23-15-17-24(18-16-23)34-20-9-4-10-21-34/h7-8,13-18,22,28H,2-6,9-12,19-21H2,1H3,(H2,31,33,37) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50326709
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50326709
((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1 | Reactome pathway
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370213
(CHEMBL1744083)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O |r,c:20| Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 | PDB
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| n/a | n/a | 4.83 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370213
(CHEMBL1744083)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O |r,c:20| Show InChI InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1 | Reactome pathway
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| n/a | n/a | 7.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370216
(CHEMBL1744084)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370216
(CHEMBL1744084)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C34H41N7O2/c1-2-20-41-30-11-7-6-10-29(30)31(25-8-4-3-5-9-25)37-32(33(41)42)38-34(43)36-26-12-14-27(15-13-26)39-21-23-40(24-22-39)28-16-18-35-19-17-28/h6-7,10-19,25,32H,2-5,8-9,20-24H2,1H3,(H2,36,38,43)/t32-/m0/s1 | Reactome pathway
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| n/a | n/a | 24.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370215
(CHEMBL1744082)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 | PDB
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| n/a | n/a | 24.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370217
(CHEMBL1744085)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 |r,c:11| Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 | Reactome pathway
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50370215
(CHEMBL1744082)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m0/s1 | Reactome pathway
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370217
(CHEMBL1744085)Show SMILES CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 |r,c:11| Show InChI InChI=1S/C36H44N6O2/c1-3-21-42-32-10-6-5-9-31(32)33(27-13-11-26(2)12-14-27)38-34(35(42)43)39-36(44)37-28-15-17-29(18-16-28)41-24-19-30(20-25-41)40-22-7-4-8-23-40/h5-6,9-18,30,34H,3-4,7-8,19-25H2,1-2H3,(H2,37,39,44)/t34-/m0/s1 | PDB
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| n/a | n/a | 64.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127445
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C32H44N6O2/c1-4-20-38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-21-18-25(19-22-37)36(2)3/h8-9,12-17,23,25,30H,4-7,10-11,18-22H2,1-3H3,(H2,33,35,40) | PDB
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UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50370214
(CHEMBL1788318)Show SMILES CCCN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11| Show InChI InChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay |
J Med Chem 46: 1803-6 (2003)
Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6 |
More data for this
Ligand-Target Pair | |
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