BDBM50434474 CHEMBL2387698

SMILES: COc1ccc(c(Cn2nc(c(CC(O)=O)c2C)-c2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=WXLGIMYKCKONTP-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 = 50434474   

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 44 (Homo sapiens (Human))	BDBM50434474 (CHEMBL2387698) Show SMILES COc1ccc(c(Cn2nc(c(CC(O)=O)c2C)-c2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H23FN2O5S/c1-17-23(15-25(30)31)26(18-6-4-3-5-7-18)28-29(17)16-19-14-21(34-2)10-13-24(19)35(32,33)22-11-8-20(27)9-12-22/h3-14H,15-16H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc...				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair