BDBM50109430 CHEMBL3601112

SMILES: Clc1cnc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc1NCc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=KMSWAYOFCZFKSL-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50109430   

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))	BDBM50109430 (CHEMBL3601112) Show SMILES Clc1cnc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H25ClN8O3/c1-2-20(33)28-17-5-3-4-16(10-17)11-25-22-19(24)13-26-23(30-22)29-18-12-27-32(14-18)15-21(34)31-6-8-35-9-7-31/h2-5,10,12-14H,1,6-9,11,15H2,(H,28,33)(H2,25,26,29,30)	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	0.600	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