Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50038093 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)) | BDBM50371333
(CHEMBL256671)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16Cl2F4N2O4/c1-8(27-17(29)18(2,30)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16(28)31-3/h4-8,30H,1-3H3,(H,27,29)/t8-,18-/m1/s1 | PDB
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| Article
PubMed
| 0.350 | 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 human 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
(Homo sapiens (Human)) | BDBM50371320
(CHEMBL271283)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1Cl)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16Cl2F4N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-12(21)4-9(7-26-15)11-5-10(20)6-13(22)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
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| 0.430 | 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 human 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
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
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| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50371321
(CHEMBL258326)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nc(C)no1 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)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
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| 0.660 | 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 human 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
(Homo sapiens (Human)) | 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 | PDB
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| 0.660 | 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 human 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
(Homo sapiens (Human)) | BDBM50371322
(CHEMBL257729)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16Cl2F4N4O3/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)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
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PubMed
| 0.790 | 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 human 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
(Homo sapiens (Human)) | BDBM50202419
(3,3'-Difluoro-4'-({[1-(2,2,2-trifluoro-acetylamino...)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H17F5N2O4/c1-32-17(29)16-13(3-2-4-14(16)22)11-5-6-12(15(23)9-11)10-27-18(30)20(7-8-20)28-19(31)21(24,25)26/h2-6,9H,7-8,10H2,1H3,(H,27,30)(H,28,31) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | 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 | PDB
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| 1.85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to monkey 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) | 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
(Oryctolagus cuniculus) | 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 | KEGG
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PC sid
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| Article
PubMed
| 13 | 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 rabbit 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
(Homo sapiens (Human)) | BDBM50371318
(CHEMBL402114)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16F5NO4/c1-18(28,19(22,23)24)17(27)25-9-11-7-6-10(8-14(11)21)12-4-3-5-13(20)15(12)16(26)29-2/h3-8,28H,9H2,1-2H3,(H,25,27)/t18-/m1/s1 | PDB
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| 24.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50371319
(CHEMBL428954)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(O)CC2)c(F)c1 Show InChI InChI=1S/C19H17F2NO4/c1-26-17(23)16-13(3-2-4-14(16)20)11-5-6-12(15(21)9-11)10-22-18(24)19(25)7-8-19/h2-6,9,25H,7-8,10H2,1H3,(H,22,24) | PDB
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| 59.1 | 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 human 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
(Homo sapiens (Human)) | BDBM50371325
(CHEMBL269948)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)C)c(F)c1 Show InChI InChI=1S/C20H21F2NO4/c1-11(2)18(24)19(25)23-10-13-8-7-12(9-16(13)22)14-5-4-6-15(21)17(14)20(26)27-3/h4-9,11,18,24H,10H2,1-3H3,(H,23,25)/t18-/m0/s1 | PDB
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| 71.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50371334
(CHEMBL272791)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(C)C)c(F)c1 Show InChI InChI=1S/C21H23F2NO4/c1-12(2)21(3,27)20(26)24-11-14-9-8-13(10-17(14)23)15-6-5-7-16(22)18(15)19(25)28-4/h5-10,12,27H,11H2,1-4H3,(H,24,26)/t21-/m0/s1 | PDB
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| 83.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50371324
(CHEMBL272491)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)c(F)c1 Show InChI InChI=1S/C21H23F2NO4/c1-21(2,3)18(25)19(26)24-11-13-9-8-12(10-16(13)23)14-6-5-7-15(22)17(14)20(27)28-4/h5-10,18,25H,11H2,1-4H3,(H,24,26)/t18-/m1/s1 | PDB
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| 88.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human 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
(Homo sapiens (Human)) | BDBM50371336
(CHEMBL257016)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H13F8NO4/c1-32-15(29)14-11(3-2-4-12(14)20)9-5-6-10(13(21)7-9)8-28-16(30)17(31,18(22,23)24)19(25,26)27/h2-7,31H,8H2,1H3,(H,28,30) | PDB
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| 95 | 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 human 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
(Homo sapiens (Human)) | BDBM50371335
(CHEMBL269949)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C18H14F5NO4/c1-28-17(27)14-11(3-2-4-12(14)19)9-5-6-10(13(20)7-9)8-24-16(26)15(25)18(21,22)23/h2-7,15,25H,8H2,1H3,(H,24,26)/t15-/m1/s1 | PDB
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| 109 | 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 human 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
(Homo sapiens (Human)) | BDBM50371330
(CHEMBL428601)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C(C)(C)O)c(F)c1 Show InChI InChI=1S/C19H19F2NO4/c1-19(2,25)18(24)22-10-12-8-7-11(9-15(12)21)13-5-4-6-14(20)16(13)17(23)26-3/h4-9,25H,10H2,1-3H3,(H,22,24) | PDB
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| 125 | 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 human 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
(Canis familiaris) | 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 | KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 205 | 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 dog 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
(Homo sapiens (Human)) | BDBM50371326
(CHEMBL273156)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C18H14F5NO4/c1-28-17(27)14-11(3-2-4-12(14)19)9-5-6-10(13(20)7-9)8-24-16(26)15(25)18(21,22)23/h2-7,15,25H,8H2,1H3,(H,24,26)/t15-/m0/s1 | PDB
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PubMed
| 479 | 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 human 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
(Homo sapiens (Human)) | BDBM50371331
(CHEMBL257053)Show InChI InChI=1S/C17H15F2NO4/c1-24-17(23)16-12(3-2-4-13(16)18)10-5-6-11(14(19)7-10)8-20-15(22)9-21/h2-7,21H,8-9H2,1H3,(H,20,22) | PDB
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PubMed
| 516 | 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 human 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
(Homo sapiens (Human)) | BDBM50371323
(CHEMBL404246)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16F5NO4/c1-18(28,19(22,23)24)17(27)25-9-11-7-6-10(8-14(11)21)12-4-3-5-13(20)15(12)16(26)29-2/h3-8,28H,9H2,1-2H3,(H,25,27)/t18-/m0/s1 | PDB
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PubMed
| 579 | 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 human 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
(Homo sapiens (Human)) | BDBM50371328
(CHEMBL270017)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@H](C)O)c(F)c1 Show InChI InChI=1S/C18H17F2NO4/c1-10(22)17(23)21-9-12-7-6-11(8-15(12)20)13-4-3-5-14(19)16(13)18(24)25-2/h3-8,10,22H,9H2,1-2H3,(H,21,23)/t10-/m0/s1 | PDB
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PubMed
| 660 | 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 human 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
(Homo sapiens (Human)) | BDBM50371327
(CHEMBL403519)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@H](C)O)c(F)c1 Show InChI InChI=1S/C18H17F2NO4/c1-10(22)17(23)21-9-12-7-6-11(8-15(12)20)13-4-3-5-14(19)16(13)18(24)25-2/h3-8,10,22H,9H2,1-2H3,(H,21,23)/t10-/m1/s1 | PDB
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PubMed
| 1.05E+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 human 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
(Homo sapiens (Human)) | BDBM50371329
(CHEMBL256793)Show SMILES CCC(O)(CC)C(=O)NCc1ccc(cc1F)-c1cccc(F)c1C(=O)OC Show InChI InChI=1S/C21H23F2NO4/c1-4-21(27,5-2)20(26)24-12-14-10-9-13(11-17(14)23)15-7-6-8-16(22)18(15)19(25)28-3/h6-11,27H,4-5,12H2,1-3H3,(H,24,26) | PDB
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| 1.09E+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 human 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
(Homo sapiens (Human)) | BDBM50371333
(CHEMBL256671)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16Cl2F4N2O4/c1-8(27-17(29)18(2,30)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16(28)31-3/h4-8,30H,1-3H3,(H,27,29)/t8-,18-/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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
(Homo sapiens (Human)) | 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 | PDB
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| Article
PubMed
| n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
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PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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
(Homo sapiens (Human)) | BDBM50371321
(CHEMBL258326)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nc(C)no1 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)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 6.65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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
(Homo sapiens (Human)) | BDBM50371322
(CHEMBL257729)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16Cl2F4N4O3/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)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 6.65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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
(Homo sapiens (Human)) | BDBM50371318
(CHEMBL402114)Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16F5NO4/c1-18(28,19(22,23)24)17(27)25-9-11-7-6-10(8-14(11)21)12-4-3-5-13(20)15(12)16(26)29-2/h3-8,28H,9H2,1-2H3,(H,25,27)/t18-/m1/s1 | PDB
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PubMed
| n/a | n/a | 43.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradikinin B1 receptor by FLIPR assay |
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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
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 | |
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