BDBM50319492 CHEMBL1083752::rac-{3-[1,1-Dioxo-2-(3-phenoxy-propyl)-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-2-methyl-indol-1-yl}-acetic acid

SMILES: Cc1c(C2N(CCCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O

InChI Key: InChIKey=CYHJNIDUFZLKIK-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 = 50319492   

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))	BDBM50319492 (CHEMBL1083752 | rac-{3-[1,1-Dioxo-2-(3-phenoxy-pro...) Show SMILES Cc1c(C2N(CCCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O Show InChI InChI=1S/C27H26N2O5S/c1-19-26(21-12-5-7-14-23(21)28(19)18-25(30)31)27-22-13-6-8-15-24(22)35(32,33)29(27)16-9-17-34-20-10-3-2-4-11-20/h2-8,10-15,27H,9,16-18H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay				Bioorg Med Chem Lett 20: 3287-90 (2010) Article DOI: 10.1016/j.bmcl.2010.04.046 BindingDB Entry DOI: 10.7270/Q26973QW
					More data for this Ligand-Target Pair