BDBM50402668 CHEMBL2206731

SMILES: Oc1ccc(C=C2SC(NCCCc3cn(CCCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1

InChI Key: InChIKey=PQOSXWDGQKCWOO-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 = 50402668   

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))	BDBM50402668 (CHEMBL2206731) Show SMILES Oc1ccc(C=C2SC(NCCCc3cn(CCCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:26.27,5.4,c:38,t:20| Show InChI InChI=1S/C28H27N7O4S2/c36-21-8-4-18(5-9-21)15-23-25(38)31-27(40-23)29-12-1-3-20-17-35(34-33-20)14-2-13-30-28-32-26(39)24(41-28)16-19-6-10-22(37)11-7-19/h4-11,15-17,36-37H,1-3,12-14H2,(H,29,31,38)(H,30,32,39)	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	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiot...				Bioorg Med Chem Lett 22: 7345-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.072 BindingDB Entry DOI: 10.7270/Q2J67J38
					More data for this Ligand-Target Pair