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BDBM50371642 CHEMBL436854

SMILES: C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)(F)F

InChI Key: InChIKey=HQBKNOVBQHARIK-SNVBAGLBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371642   
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))
BDBM50371642
PNG
(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
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/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