BDBM50402647 CHEMBL2206732

SMILES: Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br

InChI Key: InChIKey=GSRANTSKGOCBPU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50402647   

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))	BDBM50402647 (CHEMBL2206732) Show SMILES Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br |w:6.5,25.26,c:36,t:19| Show InChI InChI=1S/C27H24Br4N4O4S2/c28-16-8-14(9-17(29)22(16)36)12-20-24(38)34-26(40-20)32-6-4-2-1-3-5-7-33-27-35-25(39)21(41-27)13-15-10-18(30)23(37)19(31)11-15/h8-13,36-37H,1-7H2,(H,32,34,38)(H,33,35,39)	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	3.20E+3	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 20 mM dithio...				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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50402647 (CHEMBL2206732) Show SMILES Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br |w:6.5,25.26,c:36,t:19| Show InChI InChI=1S/C27H24Br4N4O4S2/c28-16-8-14(9-17(29)22(16)36)12-20-24(38)34-26(40-20)32-6-4-2-1-3-5-7-33-27-35-25(39)21(41-27)13-15-10-18(30)23(37)19(31)11-15/h8-13,36-37H,1-7H2,(H,32,34,38)(H,33,35,39)	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	1.38E+3	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50402647 (CHEMBL2206732) Show SMILES Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br |w:6.5,25.26,c:36,t:19| Show InChI InChI=1S/C27H24Br4N4O4S2/c28-16-8-14(9-17(29)22(16)36)12-20-24(38)34-26(40-20)32-6-4-2-1-3-5-7-33-27-35-25(39)21(41-27)13-15-10-18(30)23(37)19(31)11-15/h8-13,36-37H,1-7H2,(H,32,34,38)(H,33,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of PTP1B using fluorescein 3,6 diphosphate as substrate measured for 1 hr in presence of 1 mM dithiothreitol				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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50402647 (CHEMBL2206732) Show SMILES Oc1c(Br)cc(C=C2SC(NCCCCCCCNC3=NC(=O)C(S3)=Cc3cc(Br)c(O)c(Br)c3)=NC2=O)cc1Br |w:6.5,25.26,c:36,t:19| Show InChI InChI=1S/C27H24Br4N4O4S2/c28-16-8-14(9-17(29)22(16)36)12-20-24(38)34-26(40-20)32-6-4-2-1-3-5-7-33-27-35-25(39)21(41-27)13-15-10-18(30)23(37)19(31)11-15/h8-13,36-37H,1-7H2,(H,32,34,38)(H,33,35,39)	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	3.10E+3	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 10 mM dithio...				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