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7 similar compounds to monomer 50371332

Compile data set for download or QSAR
Wt: 476.8
BDBM50264722
Wt: 498.8
BDBM50264723
Wt: 478.8
BDBM50264835
Wt: 512.8
BDBM50264836
Wt: 462.8
BDBM50265334
Wt: 507.2
BDBM50371320
Wt: 545.8
BDBM140548

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50264722,50264723,50264835,50264836,50265334,50371320,140548   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50264836
PNG
((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...)
Show SMILES C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C22H21ClF4N6O2/c1-11(29-20(34)21(35)3-5-22(26,27)6-4-21)18-16(25)7-12(10-28-18)14-8-13(23)9-15(24)17(14)19-30-32-33(2)31-19/h7-11,35H,3-6H2,1-2H3,(H,29,34)/t11-/s2
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0.410n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50371320
PNG
(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
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0.430n/an/an/an/an/an/an/an/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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50265334
PNG
((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...)
Show SMILES C[C@@H](NC(=O)C1(O)CCCC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H21ClF2N6O2/c1-11(26-20(31)21(32)5-3-4-6-21)18-16(24)7-12(10-25-18)14-8-13(22)9-15(23)17(14)19-27-29-30(2)28-19/h7-11,32H,3-6H2,1-2H3,(H,26,31)/t11-/s2
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0.480n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50264722
PNG
(CHEMBL484881 | N-((R)-1-(5-(5-chloro-3-fluoro-2-(2...)
Show SMILES C[C@@H](NC(=O)C1(O)CCC(=O)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H19ClF2N6O3/c1-10(26-20(32)21(33)4-3-13(31)8-21)18-16(24)5-11(9-25-18)14-6-12(22)7-15(23)17(14)19-27-29-30(2)28-19/h5-7,9-10,33H,3-4,8H2,1-2H3,(H,26,32)/t10-,21?/s2
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0.670n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50264723
PNG
(CHEMBL484882 | N-(1-(5-(5-chloro-3-fluoro-2-(2-met...)
Show SMILES CC(NC(=O)C1(O)CCC(F)(F)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H19ClF4N6O2/c1-10(28-19(33)20(34)3-4-21(25,26)9-20)17-15(24)5-11(8-27-17)13-6-12(22)7-14(23)16(13)18-29-31-32(2)30-18/h5-8,10,34H,3-4,9H2,1-2H3,(H,28,33)
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0.670n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50264835
PNG
((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...)
Show SMILES C[C@@H](NC(=O)C1(O)CCOCC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H21ClF2N6O3/c1-11(26-20(31)21(32)3-5-33-6-4-21)18-16(24)7-12(10-25-18)14-8-13(22)9-15(23)17(14)19-27-29-30(2)28-19/h7-11,32H,3-6H2,1-2H3,(H,26,31)/t11-/s2
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0.960n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50264723
PNG
(CHEMBL484882 | N-(1-(5-(5-chloro-3-fluoro-2-(2-met...)
Show SMILES CC(NC(=O)C1(O)CCC(F)(F)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H19ClF4N6O2/c1-10(28-19(33)20(34)3-4-21(25,26)9-20)17-15(24)5-11(8-27-17)13-6-12(22)7-14(23)16(13)18-29-31-32(2)30-18/h5-8,10,34H,3-4,9H2,1-2H3,(H,28,33)
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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting


Bioorg Med Chem Lett 18: 5107-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.126
BindingDB Entry DOI: 10.7270/Q2GX4BCV
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM140548
PNG
(US8912221, 21)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1/C21H17ClF5N7O3/c1-9(29-18(35)20(7-37-8-20)30-19(36)21(25,26)27)16-14(24)3-10(6-28-16)12-4-11(22)5-13(23)15(12)17-31-33-34(2)32-17/h3-6,9H,7-8H2,1-2H3,(H,29,35)(H,30,36)/t9-/s2
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US Patent
4.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair