BDBM50201807 CHEMBL3934071

SMILES: CC(C)N1\C(S\C(=C/c2ccc(OCCN(C)c3ccccn3)cc2)C1=O)=N\O

InChI Key: InChIKey=ZQAPUGUCTIRGGB-SMNSWUKCSA-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 = 50201807   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50201807 (CHEMBL3934071) Show SMILES CC(C)N1\C(S\C(=C/c2ccc(OCCN(C)c3ccccn3)cc2)C1=O)=N\O Show InChI InChI=1S/C21H24N4O3S/c1-15(2)25-20(26)18(29-21(25)23-27)14-16-7-9-17(10-8-16)28-13-12-24(3)19-6-4-5-11-22-19/h4-11,14-15,27H,12-13H2,1-3H3/b18-14-,23-21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair