BDBM50443193 CHEMBL3086540

SMILES: COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(cc3)C#N)sc2c1

InChI Key: InChIKey=OKONADCTNJAPIP-CABCVRRESA-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 = 50443193   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50443193 (CHEMBL3086540) Show SMILES COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(cc3)C#N)sc2c1 |r| Show InChI InChI=1S/C19H15N3O2S/c1-24-13-6-7-16-17(8-13)25-19(21-16)22-18(23)15-9-14(15)12-4-2-11(10-20)3-5-12/h2-8,14-15H,9H2,1H3,(H,21,22,23)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis				Bioorg Med Chem Lett 23: 6331-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.069 BindingDB Entry DOI: 10.7270/Q2GX4D16
					More data for this Ligand-Target Pair