BDBM50109521 CHEMBL3601725

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)N(Cc2cccc(NC(=O)C=C)c2)C(=O)C3(C)C)cc1

InChI Key: InChIKey=CJMRXDZTLVTVHM-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 = 50109521   

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))	BDBM50109521 (CHEMBL3601725) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)N(Cc2cccc(NC(=O)C=C)c2)C(=O)C3(C)C)cc1 Show InChI InChI=1S/C29H33N7O2/c1-5-25(37)31-22-8-6-7-20(17-22)19-36-26-24(29(2,3)27(36)38)18-30-28(33-26)32-21-9-11-23(12-10-21)35-15-13-34(4)14-16-35/h5-12,17-18H,1,13-16,19H2,2-4H3,(H,31,37)(H,30,32,33)	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	17	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