Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'pirrung' and Initial = 'mc'   

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))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25B was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25 was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25B was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
1-aminocyclopropane-1-carboxylate oxidase 1 (Malus domestica (Apple) (Pyrus malus))	BDBM36630 (N-hydroxy aminoisobutryic acid) Show SMILES CC(C)([NH2+]O)C([O-])=O Show InChI InChI=1S/C4H9NO3/c1-4(2,5-8)3(6)7/h5,8H,1-2H3,(H,6,7)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University					Assay Description Enzyme inhibition assay using ethylene-forming enzyme (EFE).				Chem Biol 5: 49-57 (1998) Article DOI: 10.1016/s1074-5521(98)90086-2 BindingDB Entry DOI: 10.7270/Q24J0CG6
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cdc25B phosphatase was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
1-aminocyclopropane-1-carboxylate oxidase 1 (Malus domestica (Apple) (Pyrus malus))	BDBM36632 (N-Hydroxyaminocyclobutanecarboxylic acid) Show SMILES O[NH2+]C1(CCC1)C([O-])=O Show InChI InChI=1S/C5H9NO3/c7-4(8)5(6-9)2-1-3-5/h6,9H,1-3H2,(H,7,8)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University					Assay Description Enzyme inhibition assay using ethylene-forming enzyme (EFE).				Chem Biol 5: 49-57 (1998) Article DOI: 10.1016/s1074-5521(98)90086-2 BindingDB Entry DOI: 10.7270/Q24J0CG6
					More data for this Ligand-Target Pair
1-aminocyclopropane-1-carboxylate oxidase 1 (Malus domestica (Apple) (Pyrus malus))	BDBM36629 (Aminoisobutyric (AIB)) Show SMILES CC(C)([NH3+])C([O-])=O Show InChI InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University					Assay Description Enzyme inhibition assay using ethylene-forming enzyme (EFE).				Chem Biol 5: 49-57 (1998) Article DOI: 10.1016/s1074-5521(98)90086-2 BindingDB Entry DOI: 10.7270/Q24J0CG6
					More data for this Ligand-Target Pair
1-aminocyclopropane-1-carboxylate oxidase 1 (Malus domestica (Apple) (Pyrus malus))	BDBM36631 (Aminocyclobutanecarboxylic acid (ACBC)) Show SMILES [NH3+]C1(CCC1)C([O-])=O Show InChI InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University					Assay Description Enzyme inhibition assay using ethylene-forming enzyme (EFE).				Chem Biol 5: 49-57 (1998) Article DOI: 10.1016/s1074-5521(98)90086-2 BindingDB Entry DOI: 10.7270/Q24J0CG6
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129583 (3-[7-(3,7-Dimethyl-octa-2,6-dienyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-7.67,2.04,;-6.14,1.81,;-5.19,3.02,;-5.59,.39,;-4.07,.16,;-3.51,-1.28,;-1.99,-1.5,;-1.42,-2.94,;-1.02,-.29,;.5,-.54,;1.45,.67,;.88,2.09,;1.85,3.3,;3.36,3.06,;3.92,1.63,;5.36,1.09,;5.29,-.44,;3.82,-.84,;2.96,.43,;6.68,1.88,;6.64,3.42,;5.29,4.19,;7.97,4.21,;7.94,5.74,;9.32,3.46,;9.34,1.91,;10.69,1.14,;8.01,1.13,;8.03,-.4,)| Show InChI InChI=1S/C24H25NO4/c1-14(2)6-4-7-15(3)10-11-16-8-5-9-17-18(13-25-22(16)17)21-23(28)19(26)12-20(27)24(21)29/h5-6,8-10,13,21,25H,4,7,11-12H2,1-3H3/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129585 (3-(7-Benzyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO4/c23-16-10-17(24)21(26)18(20(16)25)15-11-22-19-13(7-4-8-14(15)19)9-12-5-2-1-3-6-12/h1-8,11,18,22H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129585 (3-(7-Benzyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO4/c23-16-10-17(24)21(26)18(20(16)25)15-11-22-19-13(7-4-8-14(15)19)9-12-5-2-1-3-6-12/h1-8,11,18,22H,9-10H2	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129572 (3-(1H-Benzo[g]indol-3-yl)-2,5-dihydroxy-[1,4]benzo...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c2ccc2ccccc32)C1=O Show InChI InChI=1S/C18H11NO4/c20-13-7-14(21)18(23)15(17(13)22)12-8-19-16-10-4-2-1-3-9(10)5-6-11(12)16/h1-6,8,15,19H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129577 (2,5-Dihydroxy-3-(7-phenyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O Show InChI InChI=1S/C20H13NO4/c22-15-9-16(23)20(25)17(19(15)24)14-10-21-18-12(7-4-8-13(14)18)11-5-2-1-3-6-11/h1-8,10,17,21H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129577 (2,5-Dihydroxy-3-(7-phenyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O Show InChI InChI=1S/C20H13NO4/c22-15-9-16(23)20(25)17(19(15)24)14-10-21-18-12(7-4-8-13(14)18)11-5-2-1-3-6-11/h1-8,10,17,21H,9H2	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074938 ((R)-2-(4-Methoxy-phenyl)-4,5-dihydro-oxazole-4-car...) Show SMILES COc1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:9| Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(6-17-11)10(14)13-15/h2-5,9,15H,6H2,1H3,(H,13,14)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant M532A of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129581 (3-[6-Chloro-7-(3-methyl-but-2-enyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCc1c(Cl)ccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-.63,-8.92,;-1.19,-7.49,;-2.72,-7.25,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H16ClNO4/c1-9(2)3-4-11-13(20)6-5-10-12(8-21-17(10)11)16-18(24)14(22)7-15(23)19(16)25/h3,5-6,8,16,21H,4,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118596 ((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...) Show SMILES COc1ccc(cc1)-c1cc(on1)P(O)(O)O Show InChI InChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-6,12-14,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129584 (3-(7-Benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-[1,4]b...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(OCc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO5/c23-15-9-16(24)21(26)18(20(15)25)14-10-22-19-13(14)7-4-8-17(19)27-11-12-5-2-1-3-6-12/h1-8,10,18,22H,9,11H2	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129584 (3-(7-Benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-[1,4]b...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(OCc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO5/c23-15-9-16(24)21(26)18(20(15)25)14-10-22-19-13(14)7-4-8-17(19)27-11-12-5-2-1-3-6-12/h1-8,10,18,22H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129582 (2,5-Dihydroxy-3-(7-propyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES CCCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C17H15NO4/c1-2-4-9-5-3-6-10-11(8-18-15(9)10)14-16(21)12(19)7-13(20)17(14)22/h3,5-6,8,14,18H,2,4,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129586 (3-(6-Chloro-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...) Show SMILES Clc1ccc2c(c[nH]c2c1)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C14H8ClNO4/c15-6-1-2-7-8(5-16-9(7)3-6)12-13(19)10(17)4-11(18)14(12)20/h1-3,5,12,16H,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50409600 (CHEMBL2111931) Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)C(=O)NO |r,t:9| Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)9-6-10(17-13-9)11(14)12-15/h2-5,10,15H,6H2,1H3,(H,12,14)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129571 (3-(5-Benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-[1,4]b...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O Show InChI InChI=1S/C21H15NO5/c23-17-9-18(24)21(26)19(20(17)25)15-10-22-16-7-6-13(8-14(15)16)27-11-12-4-2-1-3-5-12/h1-8,10,19,22H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129569 (3-(5-Bromo-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benzo...) Show SMILES Brc1ccc2[nH]cc(C3C(=O)C(=O)CC(=O)C3=O)c2c1 Show InChI InChI=1S/C14H8BrNO4/c15-6-1-2-9-7(3-6)8(5-16-9)12-13(19)10(17)4-11(18)14(12)20/h1-3,5,12,16H,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant WT of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant M531A of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant E478Q of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129584 (3-(7-Benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-[1,4]b...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(OCc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO5/c23-15-9-16(24)21(26)18(20(15)25)14-10-22-19-13(14)7-4-8-17(19)27-11-12-5-2-1-3-6-12/h1-8,10,18,22H,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129581 (3-[6-Chloro-7-(3-methyl-but-2-enyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCc1c(Cl)ccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-.63,-8.92,;-1.19,-7.49,;-2.72,-7.25,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H16ClNO4/c1-9(2)3-4-11-13(20)6-5-10-12(8-21-17(10)11)16-18(24)14(22)7-15(23)19(16)25/h3,5-6,8,16,21H,4,7H2,1-2H3	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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129570 (3-(7-tert-Butyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]...) Show SMILES CC(C)(C)c1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C18H17NO4/c1-18(2,3)11-6-4-5-9-10(8-19-15(9)11)14-16(22)12(20)7-13(21)17(14)23/h4-6,8,14,19H,7H2,1-3H3	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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129570 (3-(7-tert-Butyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]...) Show SMILES CC(C)(C)c1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C18H17NO4/c1-18(2,3)11-6-4-5-9-10(8-19-15(9)11)14-16(22)12(20)7-13(21)17(14)23/h4-6,8,14,19H,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129588 (2,5-Dihydroxy-3-(5-methyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES Cc1ccc2[nH]cc(C3C(=O)C(=O)CC(=O)C3=O)c2c1 Show InChI InChI=1S/C15H11NO4/c1-7-2-3-10-8(4-7)9(6-16-10)13-14(19)11(17)5-12(18)15(13)20/h2-4,6,13,16H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against Cell division cycle 25B was determined using CDK2-p-TpY/Cyclin A as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129583 (3-[7-(3,7-Dimethyl-octa-2,6-dienyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-7.67,2.04,;-6.14,1.81,;-5.19,3.02,;-5.59,.39,;-4.07,.16,;-3.51,-1.28,;-1.99,-1.5,;-1.42,-2.94,;-1.02,-.29,;.5,-.54,;1.45,.67,;.88,2.09,;1.85,3.3,;3.36,3.06,;3.92,1.63,;5.36,1.09,;5.29,-.44,;3.82,-.84,;2.96,.43,;6.68,1.88,;6.64,3.42,;5.29,4.19,;7.97,4.21,;7.94,5.74,;9.32,3.46,;9.34,1.91,;10.69,1.14,;8.01,1.13,;8.03,-.4,)| Show InChI InChI=1S/C24H25NO4/c1-14(2)6-4-7-15(3)10-11-16-8-5-9-17-18(13-25-22(16)17)21-23(28)19(26)12-20(27)24(21)29/h5-6,8-10,13,21,25H,4,7,11-12H2,1-3H3/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant R492L of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129581 (3-[6-Chloro-7-(3-methyl-but-2-enyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCc1c(Cl)ccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-.63,-8.92,;-1.19,-7.49,;-2.72,-7.25,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H16ClNO4/c1-9(2)3-4-11-13(20)6-5-10-12(8-21-17(10)11)16-18(24)14(22)7-15(23)19(16)25/h3,5-6,8,16,21H,4,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118597 ((R/S)-Thioacetic acid S-{2-[3-(4-methoxy-phenyl)-4...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CSC(C)=O |t:9| Show InChI InChI=1S/C14H15NO4S/c1-9(16)20-8-13(17)14-7-12(15-19-14)10-3-5-11(18-2)6-4-10/h3-6,14H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant R544L of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair

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