BDBM50109425 CHEMBL3601108

SMILES: Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=WAPWUDGWSZWAAA-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 = 50109425   

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))	BDBM50109425 (CHEMBL3601108) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H24ClN7O2/c1-2-20(31)27-16-5-3-4-15(10-16)11-24-21-19(23)13-25-22(29-21)28-17-12-26-30(14-17)18-6-8-32-9-7-18/h2-5,10,12-14,18H,1,6-9,11H2,(H,27,31)(H2,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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