Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50017443 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)) | BDBM50182237
(CHEMBL207947 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C30H40F3N3O3S/c1-20-11-13-24(18-26(20)30(31,32)33)40(38,39)36-15-6-5-9-23(36)17-28(37)35-27-10-7-8-22-16-21(12-14-25(22)27)19-34-29(2,3)4/h11-14,16,18,23,27,34H,5-10,15,17,19H2,1-4H3,(H,35,37)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182245
(CHEMBL437509 | N-((R)-6-((isobutylamino)methyl)-1,...)Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O3S/c1-20(2)18-33-19-21-12-13-26-22(15-21)7-5-11-27(26)34-28(36)17-24-9-3-4-14-35(24)39(37,38)25-10-6-8-23(16-25)29(30,31)32/h6,8,10,12-13,15-16,20,24,27,33H,3-5,7,9,11,14,17-19H2,1-2H3,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182221
(CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182230
(2-((S)-1-(benzo[b]thiophen-3-ylsulfonyl)piperidin-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C30H39N3O3S2/c1-30(2,3)31-19-21-14-15-24-22(17-21)9-8-12-26(24)32-29(34)18-23-10-6-7-16-33(23)38(35,36)28-20-37-27-13-5-4-11-25(27)28/h4-5,11,13-15,17,20,23,26,31H,6-10,12,16,18-19H2,1-3H3,(H,32,34)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182231
(CHEMBL381979 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H40ClN3O3S/c1-20-11-13-24(18-26(20)30)37(35,36)33-15-6-5-9-23(33)17-28(34)32-27-10-7-8-22-16-21(12-14-25(22)27)19-31-29(2,3)4/h11-14,16,18,23,27,31H,5-10,15,17,19H2,1-4H3,(H,32,34)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182222
(CHEMBL380117 | N-((R)-6-((cyclopropylmethylamino)m...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)23-6-4-8-25(16-23)39(37,38)35-14-2-1-7-24(35)17-28(36)34-27-9-3-5-22-15-21(12-13-26(22)27)19-33-18-20-10-11-20/h4,6,8,12-13,15-16,20,24,27,33H,1-3,5,7,9-11,14,17-19H2,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182237
(CHEMBL207947 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C30H40F3N3O3S/c1-20-11-13-24(18-26(20)30(31,32)33)40(38,39)36-15-6-5-9-23(36)17-28(37)35-27-10-7-8-22-16-21(12-14-25(22)27)19-34-29(2,3)4/h11-14,16,18,23,27,34H,5-10,15,17,19H2,1-4H3,(H,35,37)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182220
(CHEMBL381372 | N-((R)-6-((2-methoxyethylamino)meth...)Show SMILES COCCNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182231
(CHEMBL381979 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H40ClN3O3S/c1-20-11-13-24(18-26(20)30)37(35,36)33-15-6-5-9-23(33)17-28(34)32-27-10-7-8-22-16-21(12-14-25(22)27)19-31-29(2,3)4/h11-14,16,18,23,27,31H,5-10,15,17,19H2,1-4H3,(H,32,34)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182221
(CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182222
(CHEMBL380117 | N-((R)-6-((cyclopropylmethylamino)m...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)23-6-4-8-25(16-23)39(37,38)35-14-2-1-7-24(35)17-28(36)34-27-9-3-5-22-15-21(12-13-26(22)27)19-33-18-20-10-11-20/h4,6,8,12-13,15-16,20,24,27,33H,1-3,5,7,9-11,14,17-19H2,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182245
(CHEMBL437509 | N-((R)-6-((isobutylamino)methyl)-1,...)Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H38F3N3O3S/c1-20(2)18-33-19-21-12-13-26-22(15-21)7-5-11-27(26)34-28(36)17-24-9-3-4-14-35(24)39(37,38)25-10-6-8-23(16-25)29(30,31)32/h6,8,10,12-13,15-16,20,24,27,33H,3-5,7,9,11,14,17-19H2,1-2H3,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182220
(CHEMBL381372 | N-((R)-6-((2-methoxyethylamino)meth...)Show SMILES COCCNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-38-15-13-32-19-20-11-12-25-21(16-20)6-4-10-26(25)33-27(35)18-23-8-2-3-14-34(23)39(36,37)24-9-5-7-22(17-24)28(29,30)31/h5,7,9,11-12,16-17,23,26,32H,2-4,6,8,10,13-15,18-19H2,1H3,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182232
(CHEMBL205981 | N-((R)-6-((cyclopropylamino)methyl)...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 Show InChI InChI=1S/C28H34F3N3O3S/c29-28(30,31)21-6-4-8-24(16-21)38(36,37)34-14-2-1-7-23(34)17-27(35)33-26-9-3-5-20-15-19(10-13-25(20)26)18-32-22-11-12-22/h4,6,8,10,13,15-16,22-23,26,32H,1-3,5,7,9,11-12,14,17-18H2,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182232
(CHEMBL205981 | N-((R)-6-((cyclopropylamino)methyl)...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12 Show InChI InChI=1S/C28H34F3N3O3S/c29-28(30,31)21-6-4-8-24(16-21)38(36,37)34-14-2-1-7-23(34)17-27(35)33-26-9-3-5-20-15-19(10-13-25(20)26)18-32-22-11-12-22/h4,6,8,10,13,15-16,22-23,26,32H,1-3,5,7,9,11-12,14,17-18H2,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182234
(CHEMBL439505 | N-((R)-6-((cyclobutylamino)methyl)-...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)22-7-4-11-25(17-22)39(37,38)35-15-2-1-10-24(35)18-28(36)34-27-12-3-6-21-16-20(13-14-26(21)27)19-33-23-8-5-9-23/h4,7,11,13-14,16-17,23-24,27,33H,1-3,5-6,8-10,12,15,18-19H2,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182234
(CHEMBL439505 | N-((R)-6-((cyclobutylamino)methyl)-...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCC3)ccc12 Show InChI InChI=1S/C29H36F3N3O3S/c30-29(31,32)22-7-4-11-25(17-22)39(37,38)35-15-2-1-10-24(35)18-28(36)34-27-12-3-6-21-16-20(13-14-26(21)27)19-33-23-8-5-9-23/h4,7,11,13-14,16-17,23-24,27,33H,1-3,5-6,8-10,12,15,18-19H2,(H,34,36)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182229
(CHEMBL203174 | N-((R)-6-((neopentylamino)methyl)-1...)Show SMILES CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H40F3N3O3S/c1-29(2,3)20-34-19-21-13-14-26-22(16-21)8-6-12-27(26)35-28(37)18-24-10-4-5-15-36(24)40(38,39)25-11-7-9-23(17-25)30(31,32)33/h7,9,11,13-14,16-17,24,27,34H,4-6,8,10,12,15,18-20H2,1-3H3,(H,35,37)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182236
(CHEMBL205501 | N-((R)-6-((dimethylamino)methyl)-1,...)Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O3S/c1-32(2)18-19-12-13-24-20(15-19)7-5-11-25(24)31-26(34)17-22-9-3-4-14-33(22)37(35,36)23-10-6-8-21(16-23)27(28,29)30/h6,8,10,12-13,15-16,22,25H,3-5,7,9,11,14,17-18H2,1-2H3,(H,31,34)/t22-,25+/m0/s1 | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182230
(2-((S)-1-(benzo[b]thiophen-3-ylsulfonyl)piperidin-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1csc2ccccc12 Show InChI InChI=1S/C30H39N3O3S2/c1-30(2,3)31-19-21-14-15-24-22(17-21)9-8-12-26(24)32-29(34)18-23-10-6-7-16-33(23)38(35,36)28-20-37-27-13-5-4-11-25(27)28/h4-5,11,13-15,17,20,23,26,31H,6-10,12,16,18-19H2,1-3H3,(H,32,34)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182228
(CHEMBL206247 | N-((R)-6-((isopropylamino)methyl)-1...)Show SMILES CC(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O3S/c1-19(2)32-18-20-12-13-25-21(15-20)7-5-11-26(25)33-27(35)17-23-9-3-4-14-34(23)38(36,37)24-10-6-8-22(16-24)28(29,30)31/h6,8,10,12-13,15-16,19,23,26,32H,3-5,7,9,11,14,17-18H2,1-2H3,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182241
(CHEMBL381964 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C28H38ClN3O3S/c1-28(2,3)30-19-20-13-14-25-21(16-20)8-6-12-26(25)31-27(33)18-23-10-4-5-15-32(23)36(34,35)24-11-7-9-22(29)17-24/h7,9,11,13-14,16-17,23,26,30H,4-6,8,10,12,15,18-19H2,1-3H3,(H,31,33)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182239
(CHEMBL208387 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H41N3O3S/c1-21-11-14-25(15-12-21)36(34,35)32-17-6-5-9-24(32)19-28(33)31-27-10-7-8-23-18-22(13-16-26(23)27)20-30-29(2,3)4/h11-16,18,24,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182225
(CHEMBL206901 | N-((R)-7-((tert-butylamino)methyl)c...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-27(2,3)32-18-19-10-11-23-24(12-14-38-25(23)15-19)33-26(35)17-21-8-4-5-13-34(21)39(36,37)22-9-6-7-20(16-22)28(29,30)31/h6-7,9-11,15-16,21,24,32H,4-5,8,12-14,17-18H2,1-3H3,(H,33,35)/t21-,24+/m0/s1 | PDB
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182228
(CHEMBL206247 | N-((R)-6-((isopropylamino)methyl)-1...)Show SMILES CC(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O3S/c1-19(2)32-18-20-12-13-25-21(15-20)7-5-11-26(25)33-27(35)17-23-9-3-4-14-34(23)38(36,37)24-10-6-8-22(16-24)28(29,30)31/h6,8,10,12-13,15-16,19,23,26,32H,3-5,7,9,11,14,17-18H2,1-2H3,(H,33,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182241
(CHEMBL381964 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C28H38ClN3O3S/c1-28(2,3)30-19-20-13-14-25-21(16-20)8-6-12-26(25)31-27(33)18-23-10-4-5-15-32(23)36(34,35)24-11-7-9-22(29)17-24/h7,9,11,13-14,16-17,23,26,30H,4-6,8,10,12,15,18-19H2,1-3H3,(H,31,33)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182239
(CHEMBL208387 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H41N3O3S/c1-21-11-14-25(15-12-21)36(34,35)32-17-6-5-9-24(32)19-28(33)31-27-10-7-8-23-18-22(13-16-26(23)27)20-30-29(2,3)4/h11-16,18,24,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182235
(2-((S)-1-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)p...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 Show InChI InChI=1S/C28H37N5O3S2/c1-28(2,3)29-18-19-13-14-22-20(16-19)8-6-10-23(22)30-26(34)17-21-9-4-5-15-33(21)38(35,36)25-12-7-11-24-27(25)32-37-31-24/h7,11-14,16,21,23,29H,4-6,8-10,15,17-18H2,1-3H3,(H,30,34)/t21-,23+/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182225
(CHEMBL206901 | N-((R)-7-((tert-butylamino)methyl)c...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H36F3N3O4S/c1-27(2,3)32-18-19-10-11-23-24(12-14-38-25(23)15-19)33-26(35)17-21-8-4-5-13-34(21)39(36,37)22-9-6-7-20(16-22)28(29,30)31/h6-7,9-11,15-16,21,24,32H,4-5,8,12-14,17-18H2,1-3H3,(H,33,35)/t21-,24+/m0/s1 | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182236
(CHEMBL205501 | N-((R)-6-((dimethylamino)methyl)-1,...)Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O3S/c1-32(2)18-19-12-13-24-20(15-19)7-5-11-25(24)31-26(34)17-22-9-3-4-14-33(22)37(35,36)23-10-6-8-21(16-23)27(28,29)30/h6,8,10,12-13,15-16,22,25H,3-5,7,9,11,14,17-18H2,1-2H3,(H,31,34)/t22-,25+/m0/s1 | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182235
(2-((S)-1-(benzo[c][1,2,5]thiadiazol-4-ylsulfonyl)p...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc12 Show InChI InChI=1S/C28H37N5O3S2/c1-28(2,3)29-18-19-13-14-22-20(16-19)8-6-10-23(22)30-26(34)17-21-9-4-5-15-33(21)38(35,36)25-12-7-11-24-27(25)32-37-31-24/h7,11-14,16,21,23,29H,4-6,8-10,15,17-18H2,1-3H3,(H,30,34)/t21-,23+/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182238
(CHEMBL207945 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H38F5N3O3S/c1-28(2,3)36-19-20-10-15-25-21(17-20)7-6-9-26(25)37-27(39)18-23-8-4-5-16-38(23)42(40,41)24-13-11-22(12-14-24)29(31,32)30(33,34)35/h10-15,17,23,26,36H,4-9,16,18-19H2,1-3H3,(H,37,39)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182246
(CHEMBL205227 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C31H40N4O3S/c1-31(2,3)33-21-22-15-16-26-24(19-22)10-6-13-27(26)34-29(36)20-25-12-4-5-18-35(25)39(37,38)28-14-7-9-23-11-8-17-32-30(23)28/h7-9,11,14-17,19,25,27,33H,4-6,10,12-13,18,20-21H2,1-3H3,(H,34,36)/t25-,27+/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182229
(CHEMBL203174 | N-((R)-6-((neopentylamino)methyl)-1...)Show SMILES CC(C)(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C30H40F3N3O3S/c1-29(2,3)20-34-19-21-13-14-26-22(16-21)8-6-12-27(26)35-28(37)18-24-10-4-5-15-36(24)40(38,39)25-11-7-9-23(17-25)30(31,32)33/h7,9,11,13-14,16-17,24,27,34H,4-6,8,10,12,15,18-20H2,1-3H3,(H,35,37)/t24-,27+/m0/s1 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182238
(CHEMBL207945 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H38F5N3O3S/c1-28(2,3)36-19-20-10-15-25-21(17-20)7-6-9-26(25)37-27(39)18-23-8-4-5-16-38(23)42(40,41)24-13-11-22(12-14-24)29(31,32)30(33,34)35/h10-15,17,23,26,36H,4-9,16,18-19H2,1-3H3,(H,37,39)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182246
(CHEMBL205227 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C31H40N4O3S/c1-31(2,3)33-21-22-15-16-26-24(19-22)10-6-13-27(26)34-29(36)20-25-12-4-5-18-35(25)39(37,38)28-14-7-9-23-11-8-17-32-30(23)28/h7-9,11,14-17,19,25,27,33H,4-6,10,12-13,18,20-21H2,1-3H3,(H,34,36)/t25-,27+/m0/s1 | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182242
(2-[(S)-1-(biphenyl-4-sulfonyl)-piperidin-2-yl]-N-[...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H43N3O3S/c1-34(2,3)35-24-25-15-20-31-28(22-25)12-9-14-32(31)36-33(38)23-29-13-7-8-21-37(29)41(39,40)30-18-16-27(17-19-30)26-10-5-4-6-11-26/h4-6,10-11,15-20,22,29,32,35H,7-9,12-14,21,23-24H2,1-3H3,(H,36,38)/t29-,32+/m0/s1 | PDB
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| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182226
(CHEMBL206541 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H38ClN3O3S/c1-28(2,3)30-19-20-10-15-25-21(17-20)7-6-9-26(25)31-27(33)18-23-8-4-5-16-32(23)36(34,35)24-13-11-22(29)12-14-24/h10-15,17,23,26,30H,4-9,16,18-19H2,1-3H3,(H,31,33)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182224
(2-((S)-1-(4-butoxyphenylsulfonyl)piperidin-2-yl)-N...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C32H47N3O4S/c1-5-6-20-39-27-14-16-28(17-15-27)40(37,38)35-19-8-7-11-26(35)22-31(36)34-30-12-9-10-25-21-24(13-18-29(25)30)23-33-32(2,3)4/h13-18,21,26,30,33H,5-12,19-20,22-23H2,1-4H3,(H,34,36)/t26-,30+/m0/s1 | PDB
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| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182247
(CHEMBL205242 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C31H40N4O3S/c1-31(2,3)33-20-22-13-14-26-23(18-22)8-6-11-28(26)34-30(36)19-25-10-4-5-17-35(25)39(37,38)29-12-7-9-24-21-32-16-15-27(24)29/h7,9,12-16,18,21,25,28,33H,4-6,8,10-11,17,19-20H2,1-3H3,(H,34,36)/t25-,28+/m0/s1 | PDB
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| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182242
(2-[(S)-1-(biphenyl-4-sulfonyl)-piperidin-2-yl]-N-[...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H43N3O3S/c1-34(2,3)35-24-25-15-20-31-28(22-25)12-9-14-32(31)36-33(38)23-29-13-7-8-21-37(29)41(39,40)30-18-16-27(17-19-30)26-10-5-4-6-11-26/h4-6,10-11,15-20,22,29,32,35H,7-9,12-14,21,23-24H2,1-3H3,(H,36,38)/t29-,32+/m0/s1 | PDB
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| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182227
(CHEMBL207033 | N-((R)-6-((2,2,2-trifluoroethylamin...)Show SMILES FC(F)(F)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H31F6N3O3S/c28-26(29,30)17-34-16-18-10-11-23-19(13-18)5-3-9-24(23)35-25(37)15-21-7-1-2-12-36(21)40(38,39)22-8-4-6-20(14-22)27(31,32)33/h4,6,8,10-11,13-14,21,24,34H,1-3,5,7,9,12,15-17H2,(H,35,37)/t21-,24+/m0/s1 | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182223
(CHEMBL204847 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)30-20-21-11-16-26-22(18-21)8-7-10-27(26)31-28(33)19-23-9-5-6-17-32(23)37(34,35)25-14-12-24(36-4)13-15-25/h11-16,18,23,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182226
(CHEMBL206541 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H38ClN3O3S/c1-28(2,3)30-19-20-10-15-25-21(17-20)7-6-9-26(25)31-27(33)18-23-8-4-5-16-32(23)36(34,35)24-13-11-22(29)12-14-24/h10-15,17,23,26,30H,4-9,16,18-19H2,1-3H3,(H,31,33)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182240
(CHEMBL206801 | N-((R)-7-((tert-butylamino)methyl)c...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O4S/c1-26(2,3)31-17-18-9-10-22-23(11-13-37-24(22)14-18)32-25(34)16-20-7-5-12-33(20)38(35,36)21-8-4-6-19(15-21)27(28,29)30/h4,6,8-10,14-15,20,23,31H,5,7,11-13,16-17H2,1-3H3,(H,32,34)/t20-,23+/m0/s1 | PDB
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| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182233
(CHEMBL377011 | N-((R)-6-(azetidin-1-ylmethyl)-1,2,...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCC3)ccc12 Show InChI InChI=1S/C28H34F3N3O3S/c29-28(30,31)22-7-4-9-24(17-22)38(36,37)34-15-2-1-8-23(34)18-27(35)32-26-10-3-6-21-16-20(11-12-25(21)26)19-33-13-5-14-33/h4,7,9,11-12,16-17,23,26H,1-3,5-6,8,10,13-15,18-19H2,(H,32,35)/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182224
(2-((S)-1-(4-butoxyphenylsulfonyl)piperidin-2-yl)-N...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C32H47N3O4S/c1-5-6-20-39-27-14-16-28(17-15-27)40(37,38)35-19-8-7-11-26(35)22-31(36)34-30-12-9-10-25-21-24(13-18-29(25)30)23-33-32(2,3)4/h13-18,21,26,30,33H,5-12,19-20,22-23H2,1-4H3,(H,34,36)/t26-,30+/m0/s1 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182223
(CHEMBL204847 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)30-20-21-11-16-26-22(18-21)8-7-10-27(26)31-28(33)19-23-9-5-6-17-32(23)37(34,35)25-14-12-24(36-4)13-15-25/h11-16,18,23,27,30H,5-10,17,19-20H2,1-4H3,(H,31,33)/t23-,27+/m0/s1 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor by calcium influx functional assay |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182240
(CHEMBL206801 | N-((R)-7-((tert-butylamino)methyl)c...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H34F3N3O4S/c1-26(2,3)31-17-18-9-10-22-23(11-13-37-24(22)14-18)32-25(34)16-20-7-5-12-33(20)38(35,36)21-8-4-6-19(15-21)27(28,29)30/h4,6,8-10,14-15,20,23,31H,5,7,11-13,16-17H2,1-3H3,(H,32,34)/t20-,23+/m0/s1 | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50182243
(CHEMBL208386 | N-((R)-6-((tert-butylamino)methyl)-...)Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H39N3O3S/c1-28(2,3)29-20-21-15-16-25-22(18-21)10-9-14-26(25)30-27(32)19-23-11-7-8-17-31(23)35(33,34)24-12-5-4-6-13-24/h4-6,12-13,15-16,18,23,26,29H,7-11,14,17,19-20H2,1-3H3,(H,30,32)/t23-,26+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human B1 receptor |
Bioorg Med Chem Lett 16: 2071-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.069
BindingDB Entry DOI: 10.7270/Q2SN08K7 |
More data for this
Ligand-Target Pair | |
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