Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50020280 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)) | 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 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212094
(3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18Cl2F4N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212090
(5-chloro-3,3'-difluoro-4'-((R)-1-{[1-(2,2,2-triflu...)Show SMILES COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18ClF5N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-15(13)24)14-8-12(23)9-16(25)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1 | PDB
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| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212102
(CHEMBL392551 | methyl 2-chloro-6-(5-fluoro-6-((R)-...)Show SMILES COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H18ClF4N3O4/c1-10(28-18(31)20(6-7-20)29-19(32)21(24,25)26)16-14(23)8-11(9-27-16)12-4-3-5-13(22)15(12)17(30)33-2/h3-5,8-10H,6-7H2,1-2H3,(H,28,31)(H,29,32)/t10-/m1/s1 | PDB
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| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212097
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C22H18ClF5N6O2/c1-10(29-19(35)21(5-6-21)30-20(36)22(26,27)28)13-4-3-11(7-15(13)24)14-8-12(23)9-16(25)17(14)18-31-33-34(2)32-18/h3-4,7-10H,5-6H2,1-2H3,(H,29,35)(H,30,36)/t10-/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212104
(CHEMBL232945 | ethyl 2-chloro-6-(5-fluoro-6-((R)-1...)Show SMILES CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H20ClF4N3O4/c1-3-34-18(31)16-13(5-4-6-14(16)23)12-9-15(24)17(28-10-12)11(2)29-19(32)21(7-8-21)30-20(33)22(25,26)27/h4-6,9-11H,3,7-8H2,1-2H3,(H,29,32)(H,30,33)/t11-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212098
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)ccc1-c1noc(C)n1 Show InChI InChI=1S/C23H19ClF4N4O3/c1-11(29-20(33)22(7-8-22)31-21(34)23(26,27)28)15-5-3-13(9-18(15)25)17-10-14(24)4-6-16(17)19-30-12(2)35-32-19/h3-6,9-11H,7-8H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1 | PDB
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| 1.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212095
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)ccc1-c1nnn(C)n1 Show InChI InChI=1S/C22H19ClF4N6O2/c1-11(28-19(34)21(7-8-21)29-20(35)22(25,26)27)14-5-3-12(9-17(14)24)16-10-13(23)4-6-15(16)18-30-32-33(2)31-18/h3-6,9-11H,7-8H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1 | PDB
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| 1.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212100
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nnn(C)n1 Show InChI InChI=1S/C22H18Cl2F4N6O2/c1-10(29-19(35)21(5-6-21)30-20(36)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18-31-33-34(2)32-18/h3-4,7-10H,5-6H2,1-2H3,(H,29,35)(H,30,36)/t10-/m1/s1 | PDB
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212091
(CHEMBL232946 | ethyl 2,4-dichloro-6-(5-fluoro-6-((...)Show SMILES CCOC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H19Cl2F4N3O4/c1-3-35-18(32)16-13(7-12(23)8-14(16)24)11-6-15(25)17(29-9-11)10(2)30-19(33)21(4-5-21)31-20(34)22(26,27)28/h6-10H,3-5H2,1-2H3,(H,30,33)(H,31,34)/t10-/m1/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212092
(3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...)Show SMILES CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C23H20Cl2F4N2O4/c1-3-35-19(32)18-15(9-13(24)10-16(18)25)12-4-5-14(17(26)8-12)11(2)30-20(33)22(6-7-22)31-21(34)23(27,28)29/h4-5,8-11H,3,6-7H2,1-2H3,(H,30,33)(H,31,34)/t11-/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
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212089
(5-chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1ccc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(7-8-21)29-20(32)22(25,26)27)14-5-3-12(9-17(14)24)16-10-13(23)4-6-15(16)18(30)33-2/h3-6,9-11H,7-8H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | PDB
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| 2.05 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212096
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1-c1noc(C)n1 Show InChI InChI=1S/C23H18Cl2F4N4O3/c1-10(30-20(34)22(5-6-22)32-21(35)23(27,28)29)14-4-3-12(7-17(14)26)15-8-13(24)9-16(25)18(15)19-31-11(2)36-33-19/h3-4,7-10H,5-6H2,1-2H3,(H,30,34)(H,32,35)/t10-/m1/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212101
(CHEMBL232750 | methyl 2,4-dichloro-6-(5-fluoro-6-(...)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H17Cl2F4N3O4/c1-9(29-18(32)20(3-4-20)30-19(33)21(25,26)27)16-14(24)5-10(8-28-16)12-6-11(22)7-13(23)15(12)17(31)34-2/h5-9H,3-4H2,1-2H3,(H,29,32)(H,30,33)/t9-/m1/s1 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212099
(CHEMBL429074 | N-((R)-1-(5-(3,5-dichloro-2-(2-meth...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nnn(C)n1 Show InChI InChI=1S/C21H17Cl2F4N7O2/c1-9(29-18(35)20(3-4-20)30-19(36)21(25,26)27)16-14(24)5-10(8-28-16)12-6-11(22)7-13(23)15(12)17-31-33-34(2)32-17/h5-9H,3-4H2,1-2H3,(H,29,35)(H,30,36)/t9-/m1/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212103
(1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbox...)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)ccc1-c1nc(C)no1 Show InChI InChI=1S/C23H19ClF4N4O3/c1-11(29-20(33)22(7-8-22)31-21(34)23(26,27)28)15-5-3-13(9-18(15)25)17-10-14(24)4-6-16(17)19-30-12(2)32-35-19/h3-6,9-11H,7-8H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1 | PDB
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| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50212093
(4-chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1cc(Cl)ccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(7-8-21)29-20(32)22(25,26)27)14-5-3-12(9-17(14)24)15-6-4-13(23)10-16(15)18(30)33-2/h3-6,9-11H,7-8H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | PDB
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| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
Binding affinity to human BK1 receptor |
Bioorg Med Chem Lett 17: 3608-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.040
BindingDB Entry DOI: 10.7270/Q2765F1K |
More data for this
Ligand-Target Pair | |
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