BDBM50109418 CHEMBL3601239

SMILES: CCN(CC)CCCCNc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1

InChI Key: InChIKey=NZGJREKJSINXBY-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 = 50109418   

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))	BDBM50109418 (CHEMBL3601239) Show SMILES CCN(CC)CCCCNc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C22H31ClN6O/c1-4-20(30)27-18-11-9-10-17(14-18)15-25-21-19(23)16-26-22(28-21)24-12-7-8-13-29(5-2)6-3/h4,9-11,14,16H,1,5-8,12-13,15H2,2-3H3,(H,27,30)(H2,24,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	24	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