BDBM50015275 CHEMBL3263035

SMILES: Nc1ccc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)Nc1cnn(Cc2cccc(c2)C#N)c1

InChI Key: InChIKey=JMJPRIIHDAJRQU-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 = 50015275   

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))	BDBM50015275 (CHEMBL3263035) Show SMILES Nc1ccc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)Nc1cnn(Cc2cccc(c2)C#N)c1 Show InChI InChI=1S/C24H18N8O/c25-10-15-2-1-3-16(8-15)13-32-14-19(12-28-32)29-24(33)23-20-6-4-17(9-21(20)30-31-23)18-5-7-22(26)27-11-18/h1-9,11-12,14H,13H2,(H2,26,27)(H,29,33)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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
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