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BDBM50371655 CHEMBL402630

SMILES: C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(C)on1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F

InChI Key: InChIKey=GOZXFRIWPRGDRY-GFCCVEGCSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371655   
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))
BDBM50371655
PNG
(CHEMBL402630)
Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(C)on1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C24H21Cl2F3N4O4/c1-11-5-18(33-37-11)22(34)32-24(3-4-24)23(35)31-12(2)20-17(27)6-13(9-30-20)15-7-14(25)8-16(26)21(15)36-10-19(28)29/h5-9,12,19H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.40n/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