BDBM50109495 CHEMBL3601123

SMILES: COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C(C)=C)c3)n2)cn1

InChI Key: InChIKey=QPENWWRREXKJJU-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 = 50109495   

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))	BDBM50109495 (CHEMBL3601123) Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C(C)=C)c3)n2)cn1 Show InChI InChI=1S/C21H24ClN7O2/c1-14(2)20(30)26-16-6-4-5-15(9-16)10-23-19-18(22)12-24-21(28-19)27-17-11-25-29(13-17)7-8-31-3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H,26,30)(H2,23,24,27,28)	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	7.80	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