BDBM50338043 CHEMBL1684507::N-(3-(1H-indol-2-yl)-1H-indazol-5-yl)cyclohexanecarboxamide

SMILES: O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)C1CCCCC1

InChI Key: InChIKey=QBIHSSLMLQHEII-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 = 50338043   

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))	BDBM50338043 (CHEMBL1684507 | N-(3-(1H-indol-2-yl)-1H-indazol-5-...) Show SMILES O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)C1CCCCC1 Show InChI InChI=1S/C22H22N4O/c27-22(14-6-2-1-3-7-14)23-16-10-11-19-17(13-16)21(26-25-19)20-12-15-8-4-5-9-18(15)24-20/h4-5,8-14,24H,1-3,6-7H2,(H,23,27)(H,25,26)	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	1.60E+3	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