BDBM50109492 CHEMBL3601119

SMILES: COCC(C)(C)n1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1

InChI Key: InChIKey=PTZVTRITXCCUOQ-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 = 50109492   

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 JAK3 (Homo sapiens (Human))	BDBM50109492 (CHEMBL3601119) Show SMILES COCC(C)(C)n1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C22H26ClN7O2/c1-5-19(31)27-16-8-6-7-15(9-16)10-24-20-18(23)12-25-21(29-20)28-17-11-26-30(13-17)22(2,3)14-32-4/h5-9,11-13H,1,10,14H2,2-4H3,(H,27,31)(H2,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by Z'-Lyte assay				J Med Chem 58: 6589-606 (2015) BindingDB Entry DOI: 10.7270/Q2833TSH
					More data for this Ligand-Target Pair