Found 28 hits of Enzyme Inhibition Constant Data 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)) | 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 | PDB
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| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381274
(CHEMBL2018866)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N[C@H]1CC[C@H](CCC2=NCCN2)CC1 |r,wU:25.27,wD:28.31,t:34,(-10.48,-5.02,;-9.15,-4.25,;-7.8,-5.01,;-6.48,-4.24,;-6.49,-2.7,;-7.82,-1.93,;-9.15,-2.71,;-10.49,-1.94,;-5.16,-1.93,;-3.68,-1.52,;-4.07,-3.02,;-5.16,-.39,;-6.5,.37,;-6.5,1.92,;-5.18,2.7,;-5.18,4.24,;-3.85,5.02,;-2.5,4.25,;-2.5,2.7,;-3.83,1.93,;-3.83,.39,;-2.49,-.38,;-1.16,.39,;-1.16,1.93,;.18,-.37,;1.51,.4,;1.49,1.94,;2.83,2.71,;4.17,1.94,;5.5,2.7,;6.83,1.93,;8.1,2.81,;8.14,4.36,;9.61,4.8,;10.49,3.54,;9.55,2.31,;4.16,.4,;2.84,-.37,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-11-10-22(17-25(24)30)38(36,37)34-16-13-20-3-1-2-4-23(20)26(34)18-28(35)33-21-8-5-19(6-9-21)7-12-27-31-14-15-32-27/h1-4,10-11,17,19,21,26H,5-9,12-16,18H2,(H,31,32)(H,33,35)/t19-,21-,26? | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381279
(CHEMBL2018861)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)NCCc1ccc(cc1)C1=NCCN1 |t:37| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-10-9-22(17-25(24)30)38(36,37)34-16-12-20-3-1-2-4-23(20)26(34)18-27(35)31-13-11-19-5-7-21(8-6-19)28-32-14-15-33-28/h1-10,17,26H,11-16,18H2,(H,31,35)(H,32,33) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381275
(CHEMBL2018865)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)N1CCC(Cc2ccc(cc2)C2=NCCN2)CC1 |t:39| Show InChI InChI=1S/C32H34Cl2N4O3S/c33-28-10-9-26(20-29(28)34)42(40,41)38-18-13-24-3-1-2-4-27(24)30(38)21-31(39)37-16-11-23(12-17-37)19-22-5-7-25(8-6-22)32-35-14-15-36-32/h1-10,20,23,30H,11-19,21H2,(H,35,36) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381277
(CHEMBL2018863)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)N[C@H]2CC[C@H](CCC3=NCCN3)CC2)CCc2ccccc12 |r,wU:17.17,wD:20.21,t:24,(-10.44,-4.97,;-9.11,-4.2,;-7.77,-4.96,;-6.44,-4.19,;-6.45,-2.65,;-7.79,-1.88,;-9.12,-2.66,;-10.45,-1.89,;-5.12,-1.88,;-3.64,-1.47,;-4.04,-2.97,;-5.13,-.34,;-3.79,.44,;-2.45,-.33,;-1.12,.44,;-1.13,1.98,;.21,-.32,;1.55,.45,;1.53,1.99,;2.87,2.76,;4.2,1.99,;5.54,2.76,;6.87,1.98,;8.1,2.92,;8.07,4.47,;9.52,4.97,;10.45,3.75,;9.57,2.48,;4.2,.45,;2.87,-.32,;-3.8,1.98,;-5.14,2.75,;-6.47,1.97,;-7.8,2.73,;-9.13,1.96,;-9.13,.42,;-7.8,-.35,;-6.46,.42,)| Show InChI InChI=1S/C28H34Cl2N4O3S/c29-24-13-12-23(18-25(24)30)38(36,37)34-22(11-8-20-3-1-2-4-26(20)34)17-28(35)33-21-9-5-19(6-10-21)7-14-27-31-15-16-32-27/h1-4,12-13,18-19,21-22H,5-11,14-17H2,(H,31,32)(H,33,35)/t19-,21-,22? | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381281
(CHEMBL2018859)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)CCc2ccccc12 |t:27| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-24-12-11-23(18-25(24)30)38(36,37)34-22(10-9-20-3-1-2-4-26(20)34)17-27(35)31-14-13-19-5-7-21(8-6-19)28-32-15-16-33-28/h1-8,11-12,18,22H,9-10,13-17H2,(H,31,35)(H,32,33) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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? | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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) | PDB
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| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381276
(CHEMBL2018864)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1CCc2ccccc2C1CC(=O)Nc1ccc(cc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C33H38Cl2N4O3S/c34-30-13-12-28(22-31(30)35)43(41,42)39-21-14-24-6-2-3-7-29(24)32(39)23-33(40)36-25-8-10-26(11-9-25)38-19-15-27(16-20-38)37-17-4-1-5-18-37/h2-3,6-13,22,27,32H,1,4-5,14-21,23H2,(H,36,40) | PDB
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| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381272
(CHEMBL2018862)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCN2CCN(CC2)c2ccncc2)CCc2ccccc12 Show InChI InChI=1S/C28H31Cl2N5O3S/c29-25-8-7-24(20-26(25)30)39(37,38)35-23(6-5-21-3-1-2-4-27(21)35)19-28(36)32-13-14-33-15-17-34(18-16-33)22-9-11-31-12-10-22/h1-4,7-12,20,23H,5-6,13-19H2,(H,32,36) | PDB
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| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381282
(CHEMBL2018858)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)COc2ccccc12 |t:27| Show InChI InChI=1S/C27H26Cl2N4O4S/c28-22-10-9-21(16-23(22)29)38(35,36)33-20(17-37-25-4-2-1-3-24(25)33)15-26(34)30-12-11-18-5-7-19(8-6-18)27-31-13-14-32-27/h1-10,16,20H,11-15,17H2,(H,30,34)(H,31,32) | PDB
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381280
(CHEMBL2018860)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1Cc2ccccc2CC1CC(=O)NCCc1ccc(cc1)C1=NCCN1 |t:37| Show InChI InChI=1S/C28H28Cl2N4O3S/c29-25-10-9-24(17-26(25)30)38(36,37)34-18-22-4-2-1-3-21(22)15-23(34)16-27(35)31-12-11-19-5-7-20(8-6-19)28-32-13-14-33-28/h1-10,17,23H,11-16,18H2,(H,31,35)(H,32,33) | PDB
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| 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381278
(CHEMBL2016601)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C33H38Cl2N4O3S/c34-30-15-14-29(23-31(30)35)43(41,42)39-28(11-8-24-6-2-3-7-32(24)39)22-33(40)36-25-9-12-26(13-10-25)38-20-16-27(17-21-38)37-18-4-1-5-19-37/h2-3,6-7,9-10,12-15,23,27-28H,1,4-5,8,11,16-22H2,(H,36,40) | PDB
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| 628 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50381283
(CHEMBL2018857)Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)Nc2ccccc2)C(=O)Nc2ccccc12 Show InChI InChI=1S/C22H17Cl2N3O4S/c23-16-11-10-15(12-17(16)24)32(30,31)27-19-9-5-4-8-18(19)26-22(29)20(27)13-21(28)25-14-6-2-1-3-7-14/h1-12,20H,13H2,(H,25,28)(H,26,29) | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 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) | 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) | 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) | 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 | |
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