BDBM50322304 CHEMBL1173070::N-{3-Cyano-4-[3-(1,4-diazepan-1-ylmethyl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl}furan-2-carboxamide dihydrochloride

SMILES: Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1

InChI Key: InChIKey=UFSLGMPJQPTAIP-UHFFFAOYSA-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 = 50322304   

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))	BDBM50322304 (CHEMBL1173070 | N-{3-Cyano-4-[3-(1,4-diazepan-1-yl...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C29H26FN5O3/c30-21-7-8-22(26(36)15-21)25-16-23(24(17-31)28(33-25)34-29(37)27-6-2-13-38-27)20-5-1-4-19(14-20)18-35-11-3-9-32-10-12-35/h1-2,4-8,13-16,32,36H,3,9-12,18H2,(H,33,34,37)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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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