BDBM50109415 CHEMBL3601236

SMILES: CC(=O)N1CCN(CC1)c1c(F)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F

InChI Key: InChIKey=VGJFZRRNSWPSFD-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 = 50109415   

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))	BDBM50109415 (CHEMBL3601236) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C26H26ClF2N7O2/c1-3-23(38)32-18-6-4-5-17(11-18)14-30-25-20(27)15-31-26(34-25)33-19-12-21(28)24(22(29)13-19)36-9-7-35(8-10-36)16(2)37/h3-6,11-13,15H,1,7-10,14H2,2H3,(H,32,38)(H2,30,31,33,34)	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	3.60	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