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BDBM50222679 4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylaminoethyl)-1H-pyrazole-3-carboxylic acid [2-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)ethyl]amide::CHEMBL244284

SMILES: CN(C)CCn1nc(C(=O)NCCC2CCN(CC2)c2ccncc2)c(Br)c1NC(=O)c1ccccc1Cl

InChI Key: InChIKey=AWYVOTLFOBPIEN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222679   
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))
BDBM50222679
PNG
(4-bromo-5-(2-chlorobenzoylamino)-1-(2-dimethylamin...)
Show SMILES CN(C)CCn1nc(C(=O)NCCC2CCN(CC2)c2ccncc2)c(Br)c1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C27H33BrClN7O2/c1-34(2)17-18-36-25(32-26(37)21-5-3-4-6-22(21)29)23(28)24(33-36)27(38)31-14-7-19-10-15-35(16-11-19)20-8-12-30-13-9-20/h3-6,8-9,12-13,19H,7,10-11,14-18H2,1-2H3,(H,31,38)(H,32,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor in IL1beta stimulated IMR90 cells by FLIPR assay


J Med Chem 50: 5161-7 (2007)


Article DOI: 10.1021/jm051292n
BindingDB Entry DOI: 10.7270/Q2G73DF9
More data for this
Ligand-Target Pair