BDBM50338078 CHEMBL1684680::N-(furan-2-ylmethyl)-2-(1H-indazol-3-yl)-N-methyl-1H-indole-6-carboxamide

SMILES: CN(Cc1ccco1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12

InChI Key: InChIKey=CTGCKVXKQZXWRP-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 = 50338078   

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))	BDBM50338078 (CHEMBL1684680 | N-(furan-2-ylmethyl)-2-(1H-indazol...) Show SMILES CN(Cc1ccco1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H18N4O2/c1-26(13-16-5-4-10-28-16)22(27)15-9-8-14-11-20(23-19(14)12-15)21-17-6-2-3-7-18(17)24-25-21/h2-12,23H,13H2,1H3,(H,24,25)	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	110	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