BDBM50109405 CHEMBL3601224

SMILES: COc1cc(N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1

InChI Key: InChIKey=OZMMFWTZPJXEKB-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 = 50109405   

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))	BDBM50109405 (CHEMBL3601224) Show SMILES COc1cc(N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C26H29ClFN7O2/c1-4-24(36)31-18-7-5-6-17(12-18)15-29-25-19(27)16-30-26(33-25)32-21-13-20(28)22(14-23(21)37-3)35-10-8-34(2)9-11-35/h4-7,12-14,16H,1,8-11,15H2,2-3H3,(H,31,36)(H2,29,30,32,33)	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	46	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