BDBM50319479 CHEMBL1086560::rac-{3-[2-(3-Methyl-butyl)-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid

SMILES: CC(C)CCN1C(c2ccccc2S1(=O)=O)c1cn(CC(O)=O)c2ccccc12

InChI Key: InChIKey=GYHHSTMZZKYFOX-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 = 50319479   

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))	BDBM50319479 (CHEMBL1086560 | rac-{3-[2-(3-Methyl-butyl)-1,1-dio...) Show SMILES CC(C)CCN1C(c2ccccc2S1(=O)=O)c1cn(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C22H24N2O4S/c1-15(2)11-12-24-22(17-8-4-6-10-20(17)29(24,27)28)18-13-23(14-21(25)26)19-9-5-3-7-16(18)19/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+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