BDBM50109516 CHEMBL3601720

SMILES: COc1cc(ccc1Nc1ncc(C2CC2)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCNCC1

InChI Key: InChIKey=WLYAHJVYZQUMPV-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 = 50109516   

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))	BDBM50109516 (CHEMBL3601720) Show SMILES COc1cc(ccc1Nc1ncc(C2CC2)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCNCC1 Show InChI InChI=1S/C28H33N7O2/c1-3-26(36)32-21-6-4-5-19(15-21)17-30-27-23(20-7-8-20)18-31-28(34-27)33-24-10-9-22(16-25(24)37-2)35-13-11-29-12-14-35/h3-6,9-10,15-16,18,20,29H,1,7-8,11-14,17H2,2H3,(H,32,36)(H2,30,31,33,34)	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	220	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