BDBM50109498 CHEMBL3601126

SMILES: COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CN(C)C)c2)n1)N1CCN(C)CC1

InChI Key: InChIKey=SRDPPOYUPKTOFB-RMKNXTFCSA-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 = 50109498   

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))	BDBM50109498 (CHEMBL3601126) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CN(C)C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H37ClN8O2/c1-36(2)12-6-9-27(39)33-22-8-5-7-21(17-22)19-31-28-24(30)20-32-29(35-28)34-25-11-10-23(18-26(25)40-4)38-15-13-37(3)14-16-38/h5-11,17-18,20H,12-16,19H2,1-4H3,(H,33,39)(H2,31,32,34,35)/b9-6+	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	258	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