Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50038110 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)) | BDBM50371643
(CHEMBL272278)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C22H18Cl2F6N2O3/c1-10(31-19(33)21(4-5-21)32-20(34)22(28,29)30)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)18(14)35-9-17(26)27/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,31,33)(H,32,34)/t10-/m1/s1 | PDB
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| 0.200 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371651
(CHEMBL410281)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(Cl)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H18Cl3F3N4O4/c1-10(31-22(35)23(2-3-23)32-21(34)16-7-17(26)33-37-16)19-15(27)4-11(8-30-19)13-5-12(24)6-14(25)20(13)36-9-18(28)29/h4-8,10,18H,2-3,9H2,1H3,(H,31,35)(H,32,34)/t10-/m1/s1 | PDB
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| 0.200 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371657
(CHEMBL404370)Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2cc(OC)no2)c(F)c1 Show InChI InChI=1S/C25H22Cl2FN3O6/c1-12(29-24(34)25(6-7-25)30-22(32)19-11-20(35-2)31-37-19)15-5-4-13(8-18(15)28)16-9-14(26)10-17(27)21(16)23(33)36-3/h4-5,8-12H,6-7H2,1-3H3,(H,29,34)(H,30,32)/t12-/m1/s1 | PDB
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| 0.400 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371653
(CHEMBL255997)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H19Cl2F3N4O4/c1-11(31-22(34)23(3-4-23)32-21(33)17-2-5-30-36-17)19-16(26)6-12(9-29-19)14-7-13(24)8-15(25)20(14)35-10-18(27)28/h2,5-9,11,18H,3-4,10H2,1H3,(H,31,34)(H,32,33)/t11-/m1/s1 | PDB
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| 0.400 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
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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| 0.400 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371644
(CHEMBL404484)Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11(31-23(35)24(3-4-24)32-22(34)17-8-19(36-2)33-38-17)20-16(27)5-12(9-30-20)14-6-13(25)7-15(26)21(14)37-10-18(28)29/h5-9,11,18H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t11-/m1/s1 | PDB
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| 0.5 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371658
(CHEMBL270173)Show SMILES CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2ccno2)c(F)c1 Show InChI InChI=1S/C23H21Cl2FN4O4/c1-3-33-20-15(9-14(24)10-16(20)25)13-8-17(26)19(27-11-13)12(2)29-22(32)23(5-6-23)30-21(31)18-4-7-28-34-18/h4,7-12H,3,5-6H2,1-2H3,(H,29,32)(H,30,31)/t12-/m1/s1 | PDB
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| 0.600 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371647
(CHEMBL404705)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OC(CF)CF Show InChI InChI=1S/C23H20Cl2F6N2O3/c1-11(32-20(34)22(4-5-22)33-21(35)23(29,30)31)15-3-2-12(6-18(15)28)16-7-13(24)8-17(25)19(16)36-14(9-26)10-27/h2-3,6-8,11,14H,4-5,9-10H2,1H3,(H,32,34)(H,33,35)/t11-/m1/s1 | PDB
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| 0.900 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371650
(CHEMBL404683)Show SMILES CCOc1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21ClF4N2O3/c1-3-32-18-15(5-4-6-16(18)23)13-7-8-14(17(24)11-13)12(2)28-19(30)21(9-10-21)29-20(31)22(25,26)27/h4-8,11-12H,3,9-10H2,1-2H3,(H,28,30)(H,29,31)/t12-/m1/s1 | PDB
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| 0.900 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371652
(CHEMBL404280)Show SMILES CCOc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C25H23Cl2F3N4O5/c1-3-37-20-9-18(39-34-20)23(35)33-25(4-5-25)24(36)32-12(2)21-17(28)6-13(10-31-21)15-7-14(26)8-16(27)22(15)38-11-19(29)30/h6-10,12,19H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/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 Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371656
(CHEMBL401619)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccon1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H19Cl2F3N4O4/c1-11(30-22(34)23(3-4-23)31-21(33)17-2-5-36-32-17)19-16(26)6-12(9-29-19)14-7-13(24)8-15(25)20(14)35-10-18(27)28/h2,5-9,11,18H,3-4,10H2,1H3,(H,30,34)(H,31,33)/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 Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371649
(CHEMBL404328)Show SMILES CCOc1c(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/C22H20Cl2F4N2O3/c1-3-33-18-15(9-13(23)10-16(18)24)12-4-5-14(17(25)8-12)11(2)29-19(31)21(6-7-21)30-20(32)22(26,27)28/h4-5,8-11H,3,6-7H2,1-2H3,(H,29,31)(H,30,32)/t11-/m1/s1 | PDB
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| 1.30 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371655
(CHEMBL402630)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(C)on1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C24H21Cl2F3N4O4/c1-11-5-18(33-37-11)22(34)32-24(3-4-24)23(35)31-12(2)20-17(27)6-13(9-30-20)15-7-14(25)8-16(26)21(15)36-10-19(28)29/h5-9,12,19H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1 | PDB
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| 1.40 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371646
(CHEMBL403202)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C21H17Cl2F6N3O3/c1-9(31-18(33)20(2-3-20)32-19(34)21(27,28)29)16-14(24)4-10(7-30-16)12-5-11(22)6-13(23)17(12)35-8-15(25)26/h4-7,9,15H,2-3,8H2,1H3,(H,31,33)(H,32,34)/t9-/m1/s1 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371659
(CHEMBL269963)Show SMILES CCOc1c(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/C21H19Cl2F4N3O3/c1-3-33-17-13(7-12(22)8-14(17)23)11-6-15(24)16(28-9-11)10(2)29-18(31)20(4-5-20)30-19(32)21(25,26)27/h6-10H,3-5H2,1-2H3,(H,29,31)(H,30,32)/t10-/m1/s1 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371642
(CHEMBL436854)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)(F)F Show InChI InChI=1S/C22H17Cl2F7N2O3/c1-10(32-18(34)20(4-5-20)33-19(35)22(29,30)31)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)17(14)36-9-21(26,27)28/h2-3,6-8,10H,4-5,9H2,1H3,(H,32,34)(H,33,35)/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 Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371645
(CHEMBL256903)Show SMILES CCc1cc(no1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C25H23Cl2F3N4O4/c1-3-15-9-19(34-38-15)23(35)33-25(4-5-25)24(36)32-12(2)21-18(28)6-13(10-31-21)16-7-14(26)8-17(27)22(16)37-11-20(29)30/h6-10,12,20H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1 | PDB
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| 1.90 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371648
(CHEMBL255325)Show SMILES CC(C)Oc1c(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/C23H22Cl2F4N2O3/c1-11(2)34-19-16(9-14(24)10-17(19)25)13-4-5-15(18(26)8-13)12(3)30-20(32)22(6-7-22)31-21(33)23(27,28)29/h4-5,8-12H,6-7H2,1-3H3,(H,30,32)(H,31,33)/t12-/m1/s1 | PDB
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| 2.30 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50371654
(CHEMBL403434)Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(on1)C1CC1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C26H23Cl2F3N4O4/c1-12(33-25(37)26(4-5-26)34-24(36)19-9-20(39-35-19)13-2-3-13)22-18(29)6-14(10-32-22)16-7-15(27)8-17(28)23(16)38-11-21(30)31/h6-10,12-13,21H,2-5,11H2,1H3,(H,33,37)(H,34,36)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.60 | 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 bradykinin B1 receptor expressed in rat CNS |
Bioorg Med Chem Lett 18: 682-7 (2008)
BindingDB Entry DOI: 10.7270/Q29024NB |
More data for this
Ligand-Target Pair | |
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