BDBM50109410 CHEMBL3601229

SMILES: CN1CCN(CC1)c1c(Cl)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1Cl

InChI Key: InChIKey=MOTCNOIFTFHPQN-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 = 50109410   

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))	BDBM50109410 (CHEMBL3601229) Show SMILES CN1CCN(CC1)c1c(Cl)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1Cl Show InChI InChI=1S/C25H26Cl3N7O/c1-3-22(36)31-17-6-4-5-16(11-17)14-29-24-21(28)15-30-25(33-24)32-18-12-19(26)23(20(27)13-18)35-9-7-34(2)8-10-35/h3-6,11-13,15H,1,7-10,14H2,2H3,(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	20	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