BDBM50109496 CHEMBL3601124

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CO)c2)n1)N1CCN(C)CC1

InChI Key: InChIKey=SJMXCTNGSDEJKA-QPJJXVBHSA-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 = 50109496   

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))	BDBM50109496 (CHEMBL3601124) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CO)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C27H32ClN7O3/c1-34-10-12-35(13-11-34)21-8-9-23(24(16-21)38-2)32-27-30-18-22(28)26(33-27)29-17-19-5-3-6-20(15-19)31-25(37)7-4-14-36/h3-9,15-16,18,36H,10-14,17H2,1-2H3,(H,31,37)(H2,29,30,32,33)/b7-4+	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	245	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