BDBM50338059 CHEMBL1684512::N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-6-yl)acetamide

SMILES: CC(=O)Nc1ccc2c(n[nH]c2c1)-c1cc2ccc(C)cc2[nH]1

InChI Key: InChIKey=MLKKAMDCGUDSAG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50338059   

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))	BDBM50338059 (CHEMBL1684512 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...) Show SMILES CC(=O)Nc1ccc2c(n[nH]c2c1)-c1cc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C18H16N4O/c1-10-3-4-12-8-17(20-15(12)7-10)18-14-6-5-13(19-11(2)23)9-16(14)21-22-18/h3-9,20H,1-2H3,(H,19,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 21: 1852-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.035 BindingDB Entry DOI: 10.7270/Q2MC90BW
					More data for this Ligand-Target Pair