BDBM50109499 CHEMBL3601127

SMILES: Cn1cc(Nc2ncc(Cl)c(NCc3ccc(F)c(NC(=O)C=C)c3)n2)cn1

InChI Key: InChIKey=JQWOFXRFUGIYCB-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 = 50109499   

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))	BDBM50109499 (CHEMBL3601127) Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3ccc(F)c(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C18H17ClFN7O/c1-3-16(28)25-15-6-11(4-5-14(15)20)7-21-17-13(19)9-22-18(26-17)24-12-8-23-27(2)10-12/h3-6,8-10H,1,7H2,2H3,(H,25,28)(H2,21,22,24,26)	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	4.40	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