Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50045882   

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))	BDBM50088051 (CHEMBL3427223) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(CC)(CC)OC1=O |c:17| Show InChI InChI=1S/C24H42O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(5-2,6-3)29-23(21)27/h26H,4-19H2,1-3H3	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088044 (CHEMBL3427137) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(CC)OC1=O |c:17| Show InChI InChI=1S/C23H40O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24)20-21(25)27-23(3,5-2)28-22(20)26/h25H,4-18H2,1-3H3	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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088047 (CHEMBL3427126) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccc(cc2)C(=O)c2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-21-27(22-24-28)32(37)26-18-15-14-16-19-26/h14-16,18-19,21-24,30,38H,2-13,17,20,25H2,1H3	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	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088046 (CHEMBL3427127) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-23-19-18-22-27(28)32(37)26-20-15-14-16-21-26/h14-16,18-23,30,38H,2-13,17,24-25H2,1H3	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088054 (CHEMBL3427132) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19| Show InChI InChI=1S/C24H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(2,3)29-23(21)27/h26H,4-19H2,1-3H3	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088050 (CHEMBL3427224) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC2(CCCC2)OC1=O |c:17| Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(25)21-22(26)28-24(29-23(21)27)18-15-16-19-24/h26H,2-19H2,1H3	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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088057 (CHEMBL3427129) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(COCc2ccccc2)OC1=O |c:17| Show InChI InChI=1S/C29H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(30)28-27(31)21-25(34-29(28)32)23-33-22-24-18-15-14-16-19-24/h14-16,18-19,25,31H,2-13,17,20-23H2,1H3	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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50104677 (3-Hexadecanoyl-4-hydroxy-5-methylene-5H-furan-2-on...) Show SMILES CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(=C)C1=O Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19-20(23)17(2)25-21(19)24/h19H,2-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088049 (CHEMBL3427124) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COS(C)(=O)=O)OC1=O |c:17| Show InChI InChI=1S/C22H38O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)20-21(24)19(29-22(20)25)17-28-30(2,26)27/h19,24H,3-17H2,1-2H3	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088048 (CHEMBL3427125) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(C)=O)OC1=O |c:17| Show InChI InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(25)21-22(26)20(29-23(21)27)17-28-18(2)24/h20,26H,3-17H2,1-2H3	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	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50104694 ((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3	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	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088056 (CHEMBL3427130) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(CO)OC1=O |c:17| Show InChI InChI=1S/C22H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)21-20(25)16-18(17-23)27-22(21)26/h18,23,25H,2-17H2,1H3	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	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088055 (CHEMBL3427131) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:17| Show InChI InChI=1S/C22H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19-20(24)26-22(2,3)27-21(19)25/h24H,4-17H2,1-3H3	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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088045 (CHEMBL3427128) Show SMILES CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)OC(COCc2ccccc2)C1 |t:18| Show InChI InChI=1S/C29H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(30)33-26-21-27(34-29(31)22-26)24-32-23-25-18-15-14-16-19-25/h14-16,18-19,22,27H,2-13,17,20-21,23-24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088053 (CHEMBL3427133) Show SMILES CCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:11| Show InChI InChI=1S/C16H26O5/c1-4-5-6-7-8-9-10-11-12(17)13-14(18)20-16(2,3)21-15(13)19/h18H,4-11H2,1-3H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50088052 (CHEMBL3427134) Show SMILES CC(C)C(=O)C1=C(O)OC(C)(C)OC1=O |c:5| Show InChI InChI=1S/C10H14O5/c1-5(2)7(11)6-8(12)14-10(3,4)15-9(6)13/h5,12H,1-4H3	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+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair