BDBM50015252 CHEMBL3263039

SMILES: O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12

InChI Key: InChIKey=SKWPCSIAOSHOSL-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 = 50015252   

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))	BDBM50015252 (CHEMBL3263039) Show SMILES O=C(Nc1cnc(Cc2ccccc2)s1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C18H14N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)20-16-11-19-15(24-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis				Bioorg Med Chem Lett 24: 2448-52 (2014) Article DOI: 10.1016/j.bmcl.2014.04.023 BindingDB Entry DOI: 10.7270/Q2W097G8
					More data for this Ligand-Target Pair