BDBM50402662 CHEMBL2206743

SMILES: Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=CC=Cc4ccccc4)CC3)=NC2=O)cc1

InChI Key: InChIKey=HZFGWFLDLOQFLN-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 = 50402662   

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))	BDBM50402662 (CHEMBL2206743) Show SMILES Oc1ccc(C=C2SC(NCCN3CCN(CCNC4=NC(=O)C(S4)=CC=Cc4ccccc4)CC3)=NC2=O)cc1 |w:23.22,5.4,26.26,c:38,t:19| Show InChI InChI=1S/C30H32N6O3S2/c37-24-11-9-23(10-12-24)21-26-28(39)34-30(41-26)32-14-16-36-19-17-35(18-20-36)15-13-31-29-33-27(38)25(40-29)8-4-7-22-5-2-1-3-6-22/h1-12,21,37H,13-20H2,(H,31,33,38)(H,32,34,39)	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	5.73E+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