BDBM50109519 CHEMBL3601723

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3ccn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=ANOFFSQRETVGHH-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 = 50109519   

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))	BDBM50109519 (CHEMBL3601723) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C27H29N7O/c1-3-25(35)29-23-6-4-5-20(17-23)19-34-12-11-21-18-28-27(31-26(21)34)30-22-7-9-24(10-8-22)33-15-13-32(2)14-16-33/h3-12,17-18H,1,13-16,19H2,2H3,(H,29,35)(H,28,30,31)	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	0.700	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