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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50272447'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272447
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26Cl2N4O5S/c1-30-15-16-6-8-18-21(10-11-38-25(18)12-16)31-26(34)14-24-27(35)32-22-4-2-3-5-23(22)33(24)39(36,37)17-7-9-19(28)20(29)13-17/h2-9,12-13,21,24,30H,10-11,14-15H2,1H3,(H,31,34)(H,32,35)/t21-,24-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272447
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H26Cl2N4O5S/c1-30-15-16-6-8-18-21(10-11-38-25(18)12-16)31-26(34)14-24-27(35)32-22-4-2-3-5-23(22)33(24)39(36,37)17-7-9-19(28)20(29)13-17/h2-9,12-13,21,24,30H,10-11,14-15H2,1H3,(H,31,34)(H,32,35)/t21-,24-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair