BDBM50338088 1-(3,5-dimethylisoxazol-4-yl)-3-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-yl)urea::CHEMBL1684531

SMILES: Cc1noc(C)c1NC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1

InChI Key: InChIKey=QDLVVVNAGFJUMN-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 = 50338088   

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))	BDBM50338088 (1-(3,5-dimethylisoxazol-4-yl)-3-(3-(6-methyl-1H-in...) Show SMILES Cc1noc(C)c1NC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 Show InChI InChI=1S/C22H20N6O2/c1-11-4-5-14-9-19(24-18(14)8-11)21-16-10-15(6-7-17(16)26-27-21)23-22(29)25-20-12(2)28-30-13(20)3/h4-10,24H,1-3H3,(H,26,27)(H2,23,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	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