Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'kojima' and Initial = 's'   

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 (Mus musculus)	BDBM50104684 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2cccc(c2)C(=O)c2ccccc2)c1O Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-22-18-21-27(24-28)33(38)26-19-15-14-16-20-26/h14-16,18-22,24,39-40H,2-13,17,23,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104691 (CHEMBL423508 | Diazo-[2-(4-hexadecanoyl-3-hydroxy-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)O[C-]([N+]#N)C(=O)OCC)c1O Show InChI InChI=1S/C26H40N2O8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(29)22-23(31)20(35-25(22)32)18-21(30)36-24(28-27)26(33)34-4-2/h31-32H,3-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104690 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2ccc(cc2)C(=O)c2ccccc2)c1O Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-23-21-27(22-24-28)33(38)26-18-15-14-16-19-26/h14-16,18-19,21-24,39-40H,2-13,17,20,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125988 (US8772297, Y244) Show SMILES CN(C)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccco1 Show InChI InChI=1S/C29H38N4O7S2/c1-29(2,3)40-28(34)33-15-13-21(14-16-33)20-30-41(35,36)23-8-6-9-24(19-23)42(37,38)31-22-11-12-26(32(4)5)25(18-22)27-10-7-17-39-27/h6-12,17-19,21,30-31H,13-16,20H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104674 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](CC(=O)Oc2ccc(cc2)C2(N=N2)C(F)(F)F)C1=O |c:17,34| Show InChI InChI=1S/C30H39F3N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(36)26-27(38)24(41-28(26)39)20-25(37)40-22-18-16-21(17-19-22)29(34-35-29)30(31,32)33/h16-19,24,39H,2-15,20H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125985 (US8772297, Y241) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N=[N+]=[N-])CC1 Show InChI InChI=1S/C23H30N6O6S2/c1-23(2,3)35-22(30)29-13-11-17(12-14-29)16-25-36(31,32)20-5-4-6-21(15-20)37(33,34)27-19-9-7-18(8-10-19)26-28-24/h4-10,15,17,25,27H,11-14,16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104693 (4-Hydroxy-5-hydroxymethyl-3-octadec-9-enoyl-5H-fur...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)21-22(26)20(18-24)28-23(21)27/h9-10,24,26-27H,2-8,11-18H2,1H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of human recombinant MBP-KAT2 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Rattus norvegicus)	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of rat brain KAT2				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50324539 ((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...) Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of KAT2 in human prefrontal cortex homogenates				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567332 (CHEMBL4853586) Show SMILES CCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567336 (CHEMBL4876055) Show SMILES CCCNc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104676 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O Show InChI InChI=1S/C31H54O6/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-26(32)29-30(34)27(37-31(29)35)25-28(33)36-24-22-20-18-10-8-6-4-2/h34-35H,3-25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104681 (CHEMBL109357 | Methanesulfonic acid 4-hexadecanoyl...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(COS(C)(=O)=O)c1O 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/h24-25H,3-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567334 (CHEMBL4869045) Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccn(Cn3cc(NC(=O)Cc4ccccc4)cn3)n2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125986 (US8772297, Y260) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C32H47N5O8S2/c1-31(2,3)44-29(38)36-16-14-24(15-17-36)23-33-46(40,41)27-8-7-9-28(22-27)47(42,43)34-25-10-12-26(13-11-25)35-18-20-37(21-19-35)30(39)45-32(4,5)6/h7-13,22,24,33-34H,14-21,23H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50416560 (CHEMBL1215660) Show SMILES C[C@@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m1/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Amedeo Avogadro Curated by ChEMBL					Assay Description Inhibition of human recombinant MBP-KAT2 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr				J Med Chem 53: 5684-9 (2010) Article DOI: 10.1021/jm100464k BindingDB Entry DOI: 10.7270/Q2HM58N6
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50012280 (CHEMBL3260030) Show SMILES CCCCCCCCCCCCCCC\C(NCc1cccc(C)c1)=C1\C(=O)OC(CO)C1=O Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)34-29(27)33)30-21-24-18-16-17-23(2)20-24/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3/b27-25-	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Science and Technology Agency Curated by ChEMBL					Assay Description Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay				Bioorg Med Chem 22: 2771-82 (2014) Article DOI: 10.1016/j.bmc.2014.03.012 BindingDB Entry DOI: 10.7270/Q24T6KXJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104696 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES CCCCC\C=C\C\C=C\C\C=C\CCCCCOC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C24H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h6-7,9-10,12-13,25-26,28H,2-5,8,11,14-19H2,1H3/b7-6+,10-9+,13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567333 (CHEMBL4865589) Show SMILES CCCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104688 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES CCCCC\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h6-7,9-10,25-26,28H,2-5,8,11-19H2,1H3/b7-6+,10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125979 (US8772297, Y177) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(C)(C)C)CC1 Show InChI InChI=1S/C27H39N3O6S2/c1-26(2,3)21-10-12-22(13-11-21)29-38(34,35)24-9-7-8-23(18-24)37(32,33)28-19-20-14-16-30(17-15-20)25(31)36-27(4,5)6/h7-13,18,20,28-29H,14-17,19H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104697 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O Show InChI InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)21-22(26)19(29-23(21)27)17-20(25)28-2/h26-27H,3-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125980 (US8772297, Y224) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCCCC2)CC1 Show InChI InChI=1S/C28H40N4O6S2/c1-28(2,3)38-27(33)32-18-14-22(15-19-32)21-29-39(34,35)25-8-7-9-26(20-25)40(36,37)30-23-10-12-24(13-11-23)31-16-5-4-6-17-31/h7-13,20,22,29-30H,4-6,14-19,21H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125989 (US8772297, Y250) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(N3CCCCC3)c(c2)-c2ccco2)CC1 Show InChI InChI=1S/C32H42N4O7S2/c1-32(2,3)43-31(37)36-18-14-24(15-19-36)23-33-44(38,39)26-9-7-10-27(22-26)45(40,41)34-25-12-13-29(35-16-5-4-6-17-35)28(21-25)30-11-8-20-42-30/h7-13,20-22,24,33-34H,4-6,14-19,23H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104692 (4-Hydroxy-5-nonyloxycarbonylmethyl-2-oxo-2,5-dihyd...) Show SMILES CCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O Show InChI InChI=1S/C26H44O7/c1-3-5-7-9-11-13-15-17-19-32-25(29)23-24(28)21(33-26(23)30)20-22(27)31-18-16-14-12-10-8-6-4-2/h28,30H,3-20H2,1-2H3	PDB MMDB Reactome pathway 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
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104700 (3-Hexadecanoyl-4-hydroxy-5H-furan-2-one | CHEMBL32...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)coc1O Show InChI InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19-18(22)16-24-20(19)23/h16,22-23H,2-15H2,1H3	PDB MMDB Reactome pathway 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
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104703 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES CC\C=C\C\C=C\C\C=C\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C24H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h3-4,6-7,9-10,25-26,28H,2,5,8,11-19H2,1H3/b4-3+,7-6+,10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104673 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCSC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C20H34O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-20(24)17-18(22)16(15-21)25-19(17)23/h21-23H,2-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125981 (US8772297, Y186) Show SMILES CCN(CC)c1ccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)NCC2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H40N4O6S2/c1-6-30(7-2)23-13-11-22(12-14-23)29-39(35,36)25-10-8-9-24(19-25)38(33,34)28-20-21-15-17-31(18-16-21)26(32)37-27(3,4)5/h8-14,19,21,28-29H,6-7,15-18,20H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104683 (3-Hexadecanoyl-4-hydroxy-5-methyl-5H-furan-2-one |...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(C)c1O Show InChI InChI=1S/C21H36O4/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/h23-24H,3-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50104684 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2cccc(c2)C(=O)c2ccccc2)c1O Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-22-18-21-27(24-28)33(38)26-19-15-14-16-20-26/h14-16,18-22,24,39-40H,2-13,17,23,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50104690 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2ccc(cc2)C(=O)c2ccccc2)c1O Show InChI InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-23-21-27(22-24-28)33(38)26-18-15-14-16-19-26/h14-16,18-19,21-24,39-40H,2-13,17,20,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50012323 (CHEMBL3260378) Show SMILES Cc1cccc(CN\C(CCCCc2ccc(OCc3ccc(Cl)cc3)cc2)=C2/C(=O)OC(CO)C2=O)c1 Show InChI InChI=1S/C31H32ClNO5/c1-21-5-4-7-24(17-21)18-33-27(29-30(35)28(19-34)38-31(29)36)8-3-2-6-22-11-15-26(16-12-22)37-20-23-9-13-25(32)14-10-23/h4-5,7,9-17,28,33-34H,2-3,6,8,18-20H2,1H3/b29-27-	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Science and Technology Agency Curated by ChEMBL					Assay Description Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay in presence of 0.001% NP-40				Bioorg Med Chem 22: 2771-82 (2014) Article DOI: 10.1016/j.bmc.2014.03.012 BindingDB Entry DOI: 10.7270/Q24T6KXJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125991 (US8772297, Y296) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2cccs2)CC1 Show InChI InChI=1S/C27H33N3O6S3/c1-27(2,3)36-26(31)30-14-12-20(13-15-30)19-28-38(32,33)23-9-5-10-24(18-23)39(34,35)29-22-8-4-7-21(17-22)25-11-6-16-37-25/h4-11,16-18,20,28-29H,12-15,19H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50104674 ((4-Hexadecanoyl-3-hydroxy-5-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](CC(=O)Oc2ccc(cc2)C2(N=N2)C(F)(F)F)C1=O |c:17,34| Show InChI InChI=1S/C30H39F3N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(36)26-27(38)24(41-28(26)39)20-25(37)40-22-18-16-21(17-19-22)29(34-35-29)30(31,32)33/h16-19,24,39H,2-15,20H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567331 (CHEMBL4850885) Show SMILES CC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104699 (4-Hydroxy-5-methoxycarbonylmethyl-2-oxo-2,5-dihydr...) Show SMILES CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OC)c1O Show InChI InChI=1S/C22H36O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28-21(25)19-20(24)17(29-22(19)26)16-18(23)27-2/h24,26H,3-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125990 (US8772297, Y284) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)-c2ccco2)CC1 Show InChI InChI=1S/C27H33N3O7S2/c1-27(2,3)37-26(31)30-14-12-20(13-15-30)19-28-38(32,33)23-9-5-10-24(18-23)39(34,35)29-22-8-4-7-21(17-22)25-11-6-16-36-25/h4-11,16-18,20,28-29H,12-15,19H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50567335 (CHEMBL4854814) Show SMILES CC(C)C(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116375 BindingDB Entry DOI: 10.7270/Q2542S9V
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125987 (US8772297, Y366) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C34H43N5O7S2/c1-34(2,3)46-33(41)39-18-16-26(17-19-39)25-35-47(42,43)30-10-7-11-31(24-30)48(44,45)36-28-12-14-29(15-13-28)37-20-22-38(23-21-37)32(40)27-8-5-4-6-9-27/h4-15,24,26,35-36H,16-23,25H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50012321 (CHEMBL3260377) Show SMILES Cc1cccc(CN\C(CCCCc2ccc(OCc3cccc(Cl)c3)cc2)=C2/C(=O)OC(CO)C2=O)c1 Show InChI InChI=1S/C31H32ClNO5/c1-21-6-4-8-23(16-21)18-33-27(29-30(35)28(19-34)38-31(29)36)11-3-2-7-22-12-14-26(15-13-22)37-20-24-9-5-10-25(32)17-24/h4-6,8-10,12-17,28,33-34H,2-3,7,11,18-20H2,1H3/b29-27-	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Science and Technology Agency Curated by ChEMBL					Assay Description Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay in presence of 0.001% NP-40				Bioorg Med Chem 22: 2771-82 (2014) Article DOI: 10.1016/j.bmc.2014.03.012 BindingDB Entry DOI: 10.7270/Q24T6KXJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Mus musculus)	BDBM50104686 (4-Hydroxy-5-hydroxymethyl-2-oxo-2,5-dihydro-furan-...) Show SMILES CCCCCCCCCCCCCCNC(=O)c1c(O)oc(CO)c1O Show InChI InChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(24)17-18(23)16(15-22)26-20(17)25/h22-23,25H,2-15H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against cell division cycle 25B				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM125976 (US8772297, Y145) Show SMILES CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C24H30F3N3O6S2/c1-23(2,3)36-22(31)30-13-11-17(12-14-30)16-28-37(32,33)20-5-4-6-21(15-20)38(34,35)29-19-9-7-18(8-10-19)24(25,26)27/h4-10,15,17,28-29H,11-14,16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University US Patent					Assay Description The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activ...				US Patent US8772297 (2014) BindingDB Entry DOI: 10.7270/Q2XS5T2N
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50012320 (CHEMBL3260376) Show SMILES Cc1cccc(CN\C(CCCCc2ccc(OCc3ccccc3Cl)cc2)=C2/C(=O)OC(CO)C2=O)c1 Show InChI InChI=1S/C31H32ClNO5/c1-21-7-6-9-23(17-21)18-33-27(29-30(35)28(19-34)38-31(29)36)12-5-2-8-22-13-15-25(16-14-22)37-20-24-10-3-4-11-26(24)32/h3-4,6-7,9-11,13-17,28,33-34H,2,5,8,12,18-20H2,1H3/b29-27-	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Science and Technology Agency Curated by ChEMBL					Assay Description Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay in presence of 0.001% NP-40				Bioorg Med Chem 22: 2771-82 (2014) Article DOI: 10.1016/j.bmc.2014.03.012 BindingDB Entry DOI: 10.7270/Q24T6KXJ
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50104681 (CHEMBL109357 | Methanesulfonic acid 4-hexadecanoyl...) Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(COS(C)(=O)=O)c1O 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/h24-25H,3-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Inhibitory activity against vaccinia VH1-related phosphatase(VHR)				J Med Chem 44: 3216-22 (2001) BindingDB Entry DOI: 10.7270/Q2WD3ZVR
					More data for this Ligand-Target Pair

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