Found 46 hits of affinity data for UniProtKB/TrEMBL: P97583 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
(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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PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to rat bradykinin B1 receptor |
J Med Chem 53: 5383-99 (2010)
Article DOI: 10.1021/jm1000776
BindingDB Entry DOI: 10.7270/Q289162Z |
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
(RAT) | BDBM50127438
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |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) | Reactome pathway
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
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 | |
B1 bradykinin receptor
(RAT) | BDBM50229295
((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | Reactome pathway
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| 2.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to rat bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050
BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50157514
(CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-23-22(18(25)11-13-28-23)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24-31-32-33-34(24)2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1 | Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells |
J Med Chem 47: 6439-42 (2004)
Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM |
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 | |
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
(RAT) | BDBM50156446
(CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...)Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1 |t:41| Show InChI InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1 | Reactome pathway
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity of the [35S]- radiolabelled compound to rat Bradykinin receptor B1 |
Bioorg Med Chem Lett 14: 6045-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.09.074
BindingDB Entry DOI: 10.7270/Q2V1248Q |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50157515
(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1 | Reactome pathway
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| 35.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells |
J Med Chem 47: 6439-42 (2004)
Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50157513
(3-chloro-4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamin...)Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r| Show InChI InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1 | Reactome pathway
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| 35.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells |
J Med Chem 47: 6439-42 (2004)
Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50157509
(CHEMBL222038 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1 | Reactome pathway
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| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells |
J Med Chem 47: 6439-42 (2004)
Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50157511
(CHEMBL387638 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-...)Show SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1 | Reactome pathway
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| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expresed in CHO cells |
J Med Chem 47: 6439-42 (2004)
Article DOI: 10.1021/jm049394l
BindingDB Entry DOI: 10.7270/Q22B8XHM |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50209744
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1 | Reactome pathway
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| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50209720
((R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylme...)Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1 | Reactome pathway
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| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50209726
((R)-3-(4-fluorophenyl)-N-((R)-7-((2-methoxyethylam...)Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F4N3O5S/c1-40-14-12-34-18-19-5-10-24-25(11-13-41-27(24)15-19)35-28(37)17-26(20-6-8-22(30)9-7-20)36-42(38,39)23-4-2-3-21(16-23)29(31,32)33/h2-10,15-16,25-26,34,36H,11-14,17-18H2,1H3,(H,35,37)/t25-,26-/m1/s1 | Reactome pathway
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| 208 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50202412
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | Reactome pathway
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50202412
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | Reactome pathway
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| 1.65E+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
Binding affinity to rat bradykinin B1 receptor |
J Med Chem 50: 272-82 (2007)
Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by PDSP Ki Database
| |
Br J Pharmacol 111: 332-8 (1994)
Article DOI: 10.1111/j.1476-5381.1994.tb14064.x
BindingDB Entry DOI: 10.7270/Q2BG2MHG |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264141
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34| Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34) | Reactome pathway
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
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
(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 |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of rat bradykinin B1 receptor |
J Med Chem 53: 5383-99 (2010)
Article DOI: 10.1021/jm1000776
BindingDB Entry DOI: 10.7270/Q289162Z |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50203200
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonistic activity at rat bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization |
J Med Chem 50: 607-10 (2007)
Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0 |
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
(RAT) | BDBM50264368
(1-benzyl-N-ethyl-N-(2-(4-(1-methylpiperidin-4-yl)p...)Show SMILES CCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H38N6O2/c1-3-32(22-27(36)34-19-17-33(18-20-34)24-13-15-31(2)16-14-24)29(37)28-30-25-11-7-8-12-26(25)35(28)21-23-9-5-4-6-10-23/h4-12,24H,3,13-22H2,1-2H3 | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381265
(CHEMBL2018873)Show SMILES COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:21| Show InChI InChI=1S/C33H30Cl2N4O4S/c1-43-30-8-4-6-25-29(20-31(40)36-16-15-21-9-11-22(12-10-21)33-37-17-18-38-33)39(28-7-3-2-5-24(28)32(25)30)44(41,42)23-13-14-26(34)27(35)19-23/h2-14,19,29H,15-18,20H2,1H3,(H,36,40)(H,37,38) | Reactome pathway
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381270
(CHEMBL2018868)Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:28| Show InChI InChI=1S/C35H36N4O3S/c1-23-20-25(3)33(21-24(23)2)43(41,42)39-31-11-7-6-9-29(31)28-8-4-5-10-30(28)32(39)22-34(40)36-17-16-26-12-14-27(15-13-26)35-37-18-19-38-35/h4-15,20-21,32H,16-19,22H2,1-3H3,(H,36,40)(H,37,38) | Reactome pathway
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264370
(1-benzyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin...)Show SMILES CCCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C30H40N6O2/c1-3-15-35(23-28(37)34-20-18-33(19-21-34)25-13-16-32(2)17-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)22-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3 | Reactome pathway
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Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
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
(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) | BDBM50381271
(CHEMBL2018867)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27| Show InChI InChI=1S/C32H28Cl2N4O3S/c33-27-14-13-23(19-28(27)34)42(40,41)38-29-8-4-3-6-25(29)24-5-1-2-7-26(24)30(38)20-31(39)35-16-15-21-9-11-22(12-10-21)32-36-17-18-37-32/h1-14,19,30H,15-18,20H2,(H,35,39)(H,36,37) | Reactome pathway
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381266
(CHEMBL2018872)Show SMILES Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:23| Show InChI InChI=1S/C32H26Cl2F2N4O3S/c33-25-10-9-22(17-26(25)34)44(42,43)40-28-4-2-1-3-23(28)31-24(15-21(35)16-27(31)36)29(40)18-30(41)37-12-11-19-5-7-20(8-6-19)32-38-13-14-39-32/h1-10,15-17,29H,11-14,18H2,(H,37,41)(H,38,39) | Reactome pathway
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381273
(CHEMBL2018874)Show SMILES COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:12.11,wD:15.15,(21.69,-37.95,;21.69,-39.49,;23.03,-40.25,;24.36,-39.47,;25.71,-40.24,;25.71,-41.79,;24.38,-42.56,;24.39,-44.11,;25.72,-44.87,;27.05,-44.1,;27.05,-42.56,;28.39,-44.87,;29.72,-44.09,;29.7,-42.56,;31.04,-41.79,;32.38,-42.56,;33.71,-41.79,;35.05,-42.56,;36.27,-41.63,;37.75,-42.06,;38.62,-40.8,;37.69,-39.57,;36.24,-40.08,;32.38,-44.1,;31.05,-44.86,;23.05,-44.88,;21.71,-44.12,;20.38,-44.89,;19.04,-44.12,;19.04,-42.58,;20.37,-41.81,;21.71,-42.57,;23.04,-41.79,;23.05,-46.42,;24.54,-46.02,;24.14,-47.51,;21.72,-47.2,;21.73,-48.73,;20.41,-49.51,;19.06,-48.74,;17.73,-49.51,;19.06,-47.2,;17.72,-46.43,;20.39,-46.43,)| Show InChI InChI=1S/C34H39Cl2N3O4S/c1-43-32-10-6-8-27-31(22-33(40)37-24-13-11-23(12-14-24)17-20-38-18-4-5-19-38)39(30-9-3-2-7-26(30)34(27)32)44(41,42)25-15-16-28(35)29(36)21-25/h2-3,6-10,15-16,21,23-24,31H,4-5,11-14,17-20,22H2,1H3,(H,37,40)/t23-,24-,31? | Reactome pathway
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381267
(CHEMBL2018871)Show SMILES Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:22| Show InChI InChI=1S/C32H27Cl2FN4O3S/c33-27-12-10-23(18-28(27)34)43(41,42)39-29-4-2-1-3-25(29)24-11-9-22(35)17-26(24)30(39)19-31(40)36-14-13-20-5-7-21(8-6-20)32-37-15-16-38-32/h1-12,17-18,30H,13-16,19H2,(H,36,40)(H,37,38) | Reactome pathway
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50381269
(CHEMBL2018869)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:26| Show InChI InChI=1S/C33H32N4O3S/c1-23-10-16-26(17-11-23)41(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-24-12-14-25(15-13-24)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) | Reactome pathway
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
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
(RAT) | BDBM50381268
(CHEMBL2018870)Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27| Show InChI InChI=1S/C33H32N4O4S/c1-41-25-14-16-26(17-15-25)42(39,40)37-30-9-5-4-7-28(30)27-6-2-3-8-29(27)31(37)22-32(38)34-19-18-23-10-12-24(13-11-23)33-35-20-21-36-33/h2-17,31H,18-22H2,1H3,(H,34,38)(H,35,36) | Reactome pathway
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 22: 3095-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.065
BindingDB Entry DOI: 10.7270/Q21Z45F0 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264298
(CHEMBL490201 | N-(2-((4-(4,5-dihydro-1H-imidazol-2...)Show SMILES CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1 |t:10| Show InChI InChI=1S/C28H28N6O2/c1-33(18-21-11-13-22(14-12-21)26-29-15-16-30-26)25(35)17-31-28(36)27-32-23-9-5-6-10-24(23)34(27)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,29,30)(H,31,36) | Reactome pathway
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50156455
((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1 | Reactome pathway
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| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of rat bradykinin B1 receptor |
J Med Chem 53: 5383-99 (2010)
Article DOI: 10.1021/jm1000776
BindingDB Entry DOI: 10.7270/Q289162Z |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264140
(CHEMBL492211 | N-(2-((4-(4,5-dihydro-1H-imidazol-2...)Show SMILES CCN(CC(=O)N(C)Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1 |t:16| Show InChI InChI=1S/C30H32N6O2/c1-3-35(21-27(37)34(2)19-23-13-15-24(16-14-23)28-31-17-18-32-28)30(38)29-33-25-11-7-8-12-26(25)36(29)20-22-9-5-4-6-10-22/h4-16H,3,17-21H2,1-2H3,(H,31,32) | Reactome pathway
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| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264369
(1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-y...)Show SMILES CCCN(CC(=O)N1CCN(CC1)c1ccncc1)C(=O)c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H32N6O2/c1-2-16-34(22-27(36)33-19-17-32(18-20-33)24-12-14-30-15-13-24)29(37)28-31-25-10-6-7-11-26(25)35(28)21-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3 | Reactome pathway
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| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264296
(1-benzyl-N-(2-oxo-2-(4-(pyridin-4-yl)piperazin-1-y...)Show SMILES O=C(CNC(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34) | Reactome pathway
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| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50408815
(B-9430 | CHEMBL384857)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C64H95N19O13/c65-42(16-7-21-72-62(66)67)53(87)76-43(17-8-22-73-63(68)69)58(92)81-24-10-20-47(81)59(93)82-32-41(85)30-48(82)55(89)75-31-50(86)79-51(39-25-34-11-1-2-12-35(34)26-39)57(91)78-45(33-84)54(88)80-52(40-27-36-13-3-4-14-37(36)28-40)60(94)83-46-19-6-5-15-38(46)29-49(83)56(90)77-44(61(95)96)18-9-23-74-64(70)71/h1-4,11-14,38-49,51-52,84-85H,5-10,15-33,65H2,(H,75,89)(H,76,87)(H,77,90)(H,78,91)(H,79,86)(H,80,88)(H,95,96)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t38-,41?,42+,43-,44+,45-,46-,47-,48-,49?,51-,52+/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | 19.9 | n/a | n/a | n/a | n/a | n/a |
Institute of Mutagenesis and Differentiation
Curated by ChEMBL
| Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle. |
J Med Chem 42: 409-14 (1999)
Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50408806
(B-9858 | CHEMBL410358)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(O)=O Show InChI InChI=1S/C64H95N15O13/c65-23-9-7-18-44(67)55(83)72-45(19-8-10-24-66)56(84)73-46(20-11-25-70-64(68)69)60(88)77-26-12-22-49(77)61(89)78-34-43(81)32-50(78)58(86)71-33-52(82)75-53(41-27-36-13-1-2-14-37(36)28-41)59(87)74-47(35-80)57(85)76-54(42-29-38-15-3-4-16-39(38)30-42)62(90)79-48-21-6-5-17-40(48)31-51(79)63(91)92/h1-4,13-16,40-51,53-54,80-81H,5-12,17-35,65-67H2,(H,71,86)(H,72,83)(H,73,84)(H,74,87)(H,75,82)(H,76,85)(H,91,92)(H4,68,69,70)/t40-,43?,44-,45-,46-,47-,48-,49-,50-,51?,53-,54+/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a |
Institute of Mutagenesis and Differentiation
Curated by ChEMBL
| Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle. |
J Med Chem 42: 409-14 (1999)
Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50290545
((S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-h...)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1 | Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50214792
(CHEMBL264100 | des-Arg10-Kallidin)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 | Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Functional antagonism against BK-induced contractions in the classical guinea pig ileum B2 binding assay |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
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