BDBM50109408 CHEMBL3601227

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F

InChI Key: InChIKey=QCQKHAHVDYWUNQ-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 = 50109408   

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))	BDBM50109408 (CHEMBL3601227) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C25H27ClFN7O/c1-3-23(35)30-18-6-4-5-17(13-18)15-28-24-20(26)16-29-25(32-24)31-19-7-8-22(21(27)14-19)34-11-9-33(2)10-12-34/h3-8,13-14,16H,1,9-12,15H2,2H3,(H,30,35)(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 Patents	PubMed	n/a	n/a	0.900	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