BDBM50015267 CHEMBL3263054

SMILES: CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1

InChI Key: InChIKey=ZUXTTXJNSUUIGO-QFIPXVFZSA-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 = 50015267   

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))	BDBM50015267 (CHEMBL3263054) Show SMILES CC(C)(O)[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)cn1 |r| Show InChI InChI=1S/C24H23N7O2/c1-24(2,33)22(15-6-4-3-5-7-15)31-14-18(13-27-31)28-23(32)21-19-9-8-16(10-20(19)29-30-21)17-11-25-26-12-17/h3-14,22,33H,1-2H3,(H,25,26)(H,28,32)(H,29,30)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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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