BDBM50109414 CHEMBL3601234

SMILES: Fc1cc(N2CCOCC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1

InChI Key: InChIKey=PWFFZOZZKRXKPA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109414   

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))	BDBM50109414 (CHEMBL3601234) Show SMILES Fc1cc(N2CCOCC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1 Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-22(34)30-16-5-3-4-15(10-16)13-28-23-17(25)14-29-24(32-23)31-20-11-19(27)21(12-18(20)26)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(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	5.20	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