BDBM50322290 CHEMBL1171097::N-{3-Cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-({[(2S)-1-methylpyrrolidin-2-yl]acetyl}amino)phenyl]pyridin-2-yl}furan-2-carboxamide

SMILES: CN1CCC[C@H]1CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O

InChI Key: InChIKey=LZGZYNBMJGXMSV-NRFANRHFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322290   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50322290 (CHEMBL1171097 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCC[C@H]1CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O |r| Show InChI InChI=1S/C30H26FN5O4/c1-36-11-3-7-21(36)15-28(38)33-20-6-2-5-18(13-20)23-16-25(22-10-9-19(31)14-26(22)37)34-29(24(23)17-32)35-30(39)27-8-4-12-40-27/h2,4-6,8-10,12-14,16,21,37H,3,7,11,15H2,1H3,(H,33,38)(H,34,35,39)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, 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
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