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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 = 'BDBM50209751'   
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))
BDBM50209751
PNG
((R)-N-((R)-7-((dimethylamino)methyl)chroman-4-yl)-...)
Show SMILES CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-34(2)21-22-12-15-27-28(16-17-38-30(27)18-22)32-31(35)20-29(24-9-4-3-5-10-24)33-39(36,37)26-14-13-23-8-6-7-11-25(23)19-26/h3-15,18-19,28-29,33H,16-17,20-21H2,1-2H3,(H,32,35)/t28-,29-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
84.8n/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 CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209751
PNG
((R)-N-((R)-7-((dimethylamino)methyl)chroman-4-yl)-...)
Show SMILES CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-34(2)21-22-12-15-27-28(16-17-38-30(27)18-22)32-31(35)20-29(24-9-4-3-5-10-24)33-39(36,37)26-14-13-23-8-6-7-11-25(23)19-26/h3-15,18-19,28-29,33H,16-17,20-21H2,1-2H3,(H,32,35)/t28-,29-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 167n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair