BDBM50517809 CHEMBL4587411

SMILES: CCC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1

InChI Key: InChIKey=PCLPUMSFIGAPDD-UHFFFAOYSA-N

Data: 1 EC50

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 = 50517809   

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
Nuclear receptor subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM50517809 (CHEMBL4587411) Show SMILES CCC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O/c1-2-21(26)17-5-3-4-16(12-17)18-8-11-22-24-20(14-25(22)13-18)15-6-9-19(23)10-7-15/h3-14,21,26H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair