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BDBM50322306 CHEMBL1173512::N-[3-Cyano-4-{3-[(4-ethylpiperazin-1-yl)methyl]phenyl}-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide

SMILES: CCN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1

InChI Key: InChIKey=JLOUFXQEQKGJOU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322306   
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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50322306
PNG
(CHEMBL1173512 | N-[3-Cyano-4-{3-[(4-ethylpiperazin...)
Show SMILES CCN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1
Show InChI InChI=1S/C30H28FN5O3/c1-2-35-10-12-36(13-11-35)19-20-5-3-6-21(15-20)24-17-26(23-9-8-22(31)16-27(23)37)33-29(25(24)18-32)34-30(38)28-7-4-14-39-28/h3-9,14-17,37H,2,10-13,19H2,1H3,(H,33,34,38)
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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells


Bioorg Med Chem 18: 5157-71 (2010)


Article DOI: 10.1016/j.bmc.2010.05.061
BindingDB Entry DOI: 10.7270/Q21R6RHM
More data for this
Ligand-Target Pair