BDBM50109523 CHEMBL3601727

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=JARNJGWJRMBPFT-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 = 50109523   

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))	BDBM50109523 (CHEMBL3601727) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C28H32N8O2/c1-4-25(37)30-23-7-5-6-20(16-23)18-36-26-21(19-34(3)28(36)38)17-29-27(32-26)31-22-8-10-24(11-9-22)35-14-12-33(2)13-15-35/h4-11,16-17H,1,12-15,18-19H2,2-3H3,(H,30,37)(H,29,31,32)	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	7	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