BDBM50338115 CHEMBL1684653::N-(1-ethylpiperidin-3-yl)-3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-amine

SMILES: CCN1CCCC(C1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1

InChI Key: InChIKey=JDVNBGBHCSSKFP-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 = 50338115   

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))	BDBM50338115 (CHEMBL1684653 | N-(1-ethylpiperidin-3-yl)-3-(6-met...) Show SMILES CCN1CCCC(C1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 Show InChI InChI=1S/C23H27N5/c1-3-28-10-4-5-18(14-28)24-17-8-9-20-19(13-17)23(27-26-20)22-12-16-7-6-15(2)11-21(16)25-22/h6-9,11-13,18,24-25H,3-5,10,14H2,1-2H3,(H,26,27)	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	66	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