BDBM50536333 CHEMBL4550547

SMILES: O=C(NCC1COc2ccccc2O1)c1ccc2CC(=S)N(CC3=CC=CC3)C(=O)c2c1

InChI Key: InChIKey=WSHGYSCRZLGAQY-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536333   

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
Serine/threonine-protein kinase TAO2 (Rattus norvegicus)	BDBM50536333 (CHEMBL4550547) Show SMILES O=C(NCC1COc2ccccc2O1)c1ccc2CC(=S)N(CC3=CC=CC3)C(=O)c2c1 |c:27,t:25| Show InChI InChI=1S/C25H22N2O4S/c28-24(26-13-19-15-30-21-7-3-4-8-22(21)31-19)18-10-9-17-12-23(32)27(25(29)20(17)11-18)14-16-5-1-2-6-16/h1-5,7-11,19H,6,12-15H2,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system assessed as remaining activity using MBP as substr...				Bioorg Med Chem Lett 26: 3923-7 (2016) Article DOI: 10.1016/j.bmcl.2016.07.016
					More data for this Ligand-Target Pair