BDBM50444800 CHEMBL3099112

SMILES: COc1cccc(Sc2ccccc2Cc2c(C)n(CC(O)=O)nc2-c2ccccc2)c1

InChI Key: InChIKey=QDXPHZXHBVAAAY-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 = 50444800   

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))	BDBM50444800 (CHEMBL3099112) Show SMILES COc1cccc(Sc2ccccc2Cc2c(C)n(CC(O)=O)nc2-c2ccccc2)c1 Show InChI InChI=1S/C26H24N2O3S/c1-18-23(26(19-9-4-3-5-10-19)27-28(18)17-25(29)30)15-20-11-6-7-14-24(20)32-22-13-8-12-21(16-22)31-2/h3-14,16H,15,17H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) expressed in CHO.K1 cells assessed as inhibition of PGD2-induced [35S]-GTPgammaS binding after 2 hrs by...				Eur J Med Chem 71: 168-84 (2014) Article DOI: 10.1016/j.ejmech.2013.10.072 BindingDB Entry DOI: 10.7270/Q2GB25HZ
					More data for this Ligand-Target Pair