BDBM50338105 2-(dimethylamino)-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-yl)acetamide::CHEMBL1684499

SMILES: CN(C)CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1

InChI Key: InChIKey=VRSZUJMYAOBAFC-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 = 50338105   

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))	BDBM50338105 (2-(dimethylamino)-N-(3-(6-methyl-1H-indol-2-yl)-1H...) Show SMILES CN(C)CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 Show InChI InChI=1S/C20H21N5O/c1-12-4-5-13-9-18(22-17(13)8-12)20-15-10-14(6-7-16(15)23-24-20)21-19(26)11-25(2)3/h4-10,22H,11H2,1-3H3,(H,21,26)(H,23,24)	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	65	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