BDBM50356743 CHEMBL1917796

SMILES: CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(ccc1OCC(O)=O)C#N

InChI Key: InChIKey=JLZMULUDSUQGSP-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 = 50356743   

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))	BDBM50356743 (CHEMBL1917796) Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(ccc1OCC(O)=O)C#N Show InChI InChI=1S/C21H19NO5S/c1-3-10-28(25,26)19-8-4-15(2)17(12-19)6-7-18-11-16(13-22)5-9-20(18)27-14-21(23)24/h4-5,8-9,11-12H,3,10,14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	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