BDBM50109500 CHEMBL3601704

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(NCc2ccc(NC(=O)C=C)cc2)n1)N1CCN(C)CC1

InChI Key: InChIKey=KRJJNZCBHDAELK-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 = 50109500   

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))	BDBM50109500 (CHEMBL3601704) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2ccc(NC(=O)C=C)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-18(6-8-19)16-28-25-21(27)17-29-26(32-25)31-22-10-9-20(15-23(22)36-3)34-13-11-33(2)12-14-34/h4-10,15,17H,1,11-14,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)	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	83	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