BDBM50109507 CHEMBL3601711

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(SCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1

InChI Key: InChIKey=INEGCWHUCAWJDA-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 = 50109507   

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))	BDBM50109507 (CHEMBL3601711) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(SCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H29ClN6O2S/c1-4-24(34)29-19-7-5-6-18(14-19)17-36-25-21(27)16-28-26(31-25)30-22-9-8-20(15-23(22)35-3)33-12-10-32(2)11-13-33/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,29,34)(H,28,30,31)	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	12	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