BDBM50402671 CHEMBL2206728

SMILES: Oc1ccc(C=C2SC(NCCCc3cn(CCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1

InChI Key: InChIKey=LBQYIWODGKQTBT-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 = 50402671   

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))	BDBM50402671 (CHEMBL2206728) Show SMILES Oc1ccc(C=C2SC(NCCCc3cn(CCNC4=NC(=O)C(S4)=Cc4ccc(O)cc4)nn3)=NC2=O)cc1 |w:25.26,5.4,c:37,t:19| Show InChI InChI=1S/C27H25N7O4S2/c35-20-7-3-17(4-8-20)14-22-24(37)30-26(39-22)28-11-1-2-19-16-34(33-32-19)13-12-29-27-31-25(38)23(40-27)15-18-5-9-21(36)10-6-18/h3-10,14-16,35-36H,1-2,11-13H2,(H,28,30,37)(H,29,31,38)	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	4.84E+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