BDBM50356724 CHEMBL1917638

SMILES: COc1cccc(c1)-c1ccc(cc1S(C)(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O

InChI Key: InChIKey=CHKUMGQWVFYOHQ-UHFFFAOYSA-N

Data: 1 KI

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 = 50356724   

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))	BDBM50356724 (CHEMBL1917638) Show SMILES COc1cccc(c1)-c1ccc(cc1S(C)(=O)=O)C#Cc1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C24H19ClO6S/c1-30-20-5-3-4-17(14-20)21-10-7-16(12-23(21)32(2,28)29)6-8-18-13-19(25)9-11-22(18)31-15-24(26)27/h3-5,7,9-14H,15H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono S.A. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting				J Med Chem 54: 7299-317 (2011) Article DOI: 10.1021/jm200866y BindingDB Entry DOI: 10.7270/Q2N58MS1
					More data for this Ligand-Target Pair