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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 = 'BDBM50202414'   
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))
BDBM50202414
PNG
(CHEMBL218553 | ethyl 3-chloro-3'-fluoro-4'-{(1R)-1...)
Show SMILES CCOC(=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/C23H21ClF4N2O4/c1-3-34-19(31)18-15(5-4-6-16(18)24)13-7-8-14(17(25)11-13)12(2)29-20(32)22(9-10-22)30-21(33)23(26,27)28/h4-8,11-12H,3,9-10H2,1-2H3,(H,29,32)(H,30,33)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50202414
PNG
(CHEMBL218553 | ethyl 3-chloro-3'-fluoro-4'-{(1R)-1...)
Show SMILES CCOC(=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/C23H21ClF4N2O4/c1-3-34-19(31)18-15(5-4-6-16(18)24)13-7-8-14(17(25)11-13)12(2)29-20(32)22(9-10-22)30-21(33)23(26,27)28/h4-8,11-12H,3,9-10H2,1-2H3,(H,29,32)(H,30,33)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human bradykinin B1 receptor assessed as inhibition of Des-arg kallidin-induced increase of cytosolic calcium in CHO cells by FLIPR


J Med Chem 50: 272-82 (2007)


Article DOI: 10.1021/jm061094b
BindingDB Entry DOI: 10.7270/Q2X63MMQ
More data for this
Ligand-Target Pair