Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50038685   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50267086 (Adociaquinone B | CHEMBL476648) Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19| Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CDC25B				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264095 ((3-Carboxymethylsulfanyl-1,4-dioxo-1,4-dihydro-nap...) Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)c2ccccc2C1=O |c:5| Show InChI InChI=1S/C14H10O6S2/c15-9(16)5-21-13-11(19)7-3-1-2-4-8(7)12(20)14(13)22-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CDC25B				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264096 ((3-Benzyloxycarbonylmethylsulfanyl-1,4-dioxo-1,4-d...) Show SMILES O=C(CSC1=C(SCC(=O)OCc2ccccc2)C(=O)c2ccccc2C1=O)OCc1ccccc1 |c:4| Show InChI InChI=1S/C28H22O6S2/c29-23(33-15-19-9-3-1-4-10-19)17-35-27-25(31)21-13-7-8-14-22(21)26(32)28(27)36-18-24(30)34-16-20-11-5-2-6-12-20/h1-14H,15-18H2	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CDC25B				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50208827 (2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...) Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264094 (2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylth...) Show SMILES CC1=C(SCC(O)=O)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C13H10O4S/c1-7-11(16)8-4-2-3-5-9(8)12(17)13(7)18-6-10(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CDC25B				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264040 (3-[(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)...) Show SMILES CC1=C(SCCC(O)=O)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C14H12O4S/c1-8-12(17)9-4-2-3-5-10(9)13(18)14(8)19-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264041 (6,7-dibromoquinoline-5,8-dione | CHEMBL488961) Show SMILES BrC1=C(Br)C(=O)c2ncccc2C1=O |c:1| Show InChI InChI=1S/C9H3Br2NO2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H	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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264043 (3,3'-[(5,8-Dioxo-5,8-dihydroquinoline-6,7-diyl)dis...) Show SMILES OC(=O)CCSC1=C(SCCC(O)=O)C(=O)c2ncccc2C1=O |c:6| Show InChI InChI=1S/C15H13NO6S2/c17-9(18)3-6-23-14-12(21)8-2-1-5-16-11(8)13(22)15(14)24-7-4-10(19)20/h1-2,5H,3-4,6-7H2,(H,17,18)(H,19,20)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50263994 (CHEMBL491009 | Dibenzyl [2-(1,4-dioxo-1,4-dihydron...) Show SMILES Oc1cc(C=CC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(O)c2ccccc12 |w:5.5| Show InChI InChI=1S/C29H24O6/c30-26-17-22(27(31)24-14-8-7-13-23(24)26)15-16-25(28(32)34-18-20-9-3-1-4-10-20)29(33)35-19-21-11-5-2-6-12-21/h1-17,25,30-31H,18-19H2	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	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264042 (2,2'-[(5,8-Dioxo-5,8-dihydroquinoline-6,7-diyl)dis...) Show SMILES OC(=O)CSC1=C(SCC(O)=O)C(=O)c2ncccc2C1=O |c:5| Show InChI InChI=1S/C13H9NO6S2/c15-7(16)4-21-12-10(19)6-2-1-3-14-9(6)11(20)13(12)22-5-8(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)	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 human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264039 (CHEMBL489988 | [2-(1,4-Dioxo-1,4-dihydronaphthalen...) Show SMILES OC(=O)C(C=Cc1cc(O)c2ccccc2c1O)C(O)=O |w:4.3| Show InChI InChI=1S/C15H12O6/c16-12-7-8(5-6-11(14(18)19)15(20)21)13(17)10-4-2-1-3-9(10)12/h1-7,11,16-17H,(H,18,19)(H,20,21)	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	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50263993 (CHEMBL491008 | Dibenzyl [(1,4-dioxo-1,4-dihydronap...) Show SMILES [#8]-c1cc(\[#6]=[#6](/[#6](=O)-[#8]-[#6]-c2ccccc2)-[#6](=O)-[#8]-[#6]-c2ccccc2)c(-[#8])c2ccccc12 Show InChI InChI=1S/C28H22O6/c29-25-16-21(26(30)23-14-8-7-13-22(23)25)15-24(27(31)33-17-19-9-3-1-4-10-19)28(32)34-18-20-11-5-2-6-12-20/h1-16,29-30H,17-18H2	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	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50264038 (CHEMBL489987 | [(1,4-Dioxo-1,4-dihydronaphthalen-2...) Show SMILES [#8]-[#6](=O)-[#6](=[#6]/c1cc(-[#8])c2ccccc2c1-[#8])\[#6](-[#8])=O Show InChI InChI=1S/C14H10O6/c15-11-6-7(5-10(13(17)18)14(19)20)12(16)9-4-2-1-3-8(9)11/h1-6,15-16H,(H,17,18)(H,19,20)	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	5.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50096027 (4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCC(O)=O |w:13.14| Show InChI InChI=1S/C15H14O4/c1-9-10(7-4-8-13(16)17)15(19)12-6-3-2-5-11(12)14(9)18/h2-7,18-19H,8H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair