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BDBM50371652 CHEMBL404280

SMILES: CCOc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F

InChI Key: InChIKey=CBNAQLDBUNJJLZ-GFCCVEGCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371652   
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))
BDBM50371652
PNG
(CHEMBL404280)
Show SMILES CCOc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
Show InChI InChI=1S/C25H23Cl2F3N4O5/c1-3-37-20-9-18(39-34-20)23(35)33-25(4-5-25)24(36)32-12(2)21-17(28)6-13(10-31-21)15-7-14(26)8-16(27)22(15)38-11-19(29)30/h6-10,12,19H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/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