Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50000504   

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 1 (Homo sapiens (Human))	BDBM50208827 (2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...) Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50208827 (2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...) Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4| Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251697 (CHEMBL4093222) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21 |c:2| Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251724 (CHEMBL4066424) Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:19| Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251670 (CHEMBL4085485) Show SMILES Fc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7FO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251672 (CHEMBL4060132) Show SMILES Fc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7FO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251671 (CHEMBL4097725) Show SMILES Clc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7ClO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251688 (CHEMBL4086414) Show SMILES Oc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8O5/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7,18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251687 (CHEMBL4066643) Show SMILES COc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:16| Show InChI InChI=1S/C18H10O5/c1-22-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)23-15(10)8-9/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251723 (CHEMBL4094178) Show SMILES Cc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C18H10O4/c1-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)22-15(10)8-9/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251724 (CHEMBL4066424) Show SMILES CCN(CC)c1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:19| Show InChI InChI=1S/C21H17NO4/c1-3-22(4-2)12-5-6-13-14-7-8-15-16(23)9-10-17(24)19(15)20(14)21(25)26-18(13)11-12/h5-11H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251732 (CHEMBL4075821) Show SMILES Clc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7ClO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251697 (CHEMBL4093222) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3oc(=O)c21 |c:2| Show InChI InChI=1S/C21H10O4/c22-16-9-10-17(23)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)25-21(24)19(13)18/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251671 (CHEMBL4097725) Show SMILES Clc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7ClO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251672 (CHEMBL4060132) Show SMILES Fc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H7FO4/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251722 (CHEMBL4098262) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3oc(=O)c21 |c:2| Show InChI InChI=1S/C17H8O4/c18-12-7-8-13(19)15-11(12)6-5-10-9-3-1-2-4-14(9)21-17(20)16(10)15/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251732 (CHEMBL4075821) Show SMILES Clc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7ClO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251725 (CHEMBL4066281) Show SMILES Fc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8FNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251687 (CHEMBL4066643) Show SMILES COc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:16| Show InChI InChI=1S/C18H10O5/c1-22-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)23-15(10)8-9/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251723 (CHEMBL4094178) Show SMILES Cc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C18H10O4/c1-9-2-3-10-11-4-5-12-13(19)6-7-14(20)16(12)17(11)18(21)22-15(10)8-9/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251696 (CHEMBL4104313) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc(OCc4ccccc4)cc3oc(=O)c21 |c:2| Show InChI InChI=1S/C24H14O5/c25-19-10-11-20(26)22-18(19)9-8-17-16-7-6-15(12-21(16)29-24(27)23(17)22)28-13-14-4-2-1-3-5-14/h1-12H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251716 (CHEMBL4097300) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3[nH]c(=O)c21 |c:2| Show InChI InChI=1S/C21H11NO3/c23-16-9-10-17(24)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)22-21(25)19(13)18/h1-10H,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251709 (CHEMBL4094844) Show SMILES Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H8FNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251670 (CHEMBL4085485) Show SMILES Fc1ccc2oc(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H7FO4/c18-8-1-6-14-11(7-8)9-2-3-10-12(19)4-5-13(20)15(10)16(9)17(21)22-14/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251698 (CHEMBL4105005) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3[nH]c(=O)c21 |c:2| Show InChI InChI=1S/C17H9NO3/c19-13-7-8-14(20)15-11(13)6-5-10-9-3-1-2-4-12(9)18-17(21)16(10)15/h1-8H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251710 (CHEMBL4082819) Show SMILES Clc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8ClNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251708 (CHEMBL4067408) Show SMILES Clc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H8ClNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251716 (CHEMBL4097300) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc4ccccc4c3[nH]c(=O)c21 |c:2| Show InChI InChI=1S/C21H11NO3/c23-16-9-10-17(24)18-15(16)8-7-13-14-6-5-11-3-1-2-4-12(11)20(14)22-21(25)19(13)18/h1-10H,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251725 (CHEMBL4066281) Show SMILES Fc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8FNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251709 (CHEMBL4094844) Show SMILES Fc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H8FNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251710 (CHEMBL4082819) Show SMILES Clc1ccc2c(c1)[nH]c(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8ClNO3/c18-8-1-2-9-10-3-4-11-13(20)5-6-14(21)15(11)16(10)17(22)19-12(9)7-8/h1-7H,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251708 (CHEMBL4067408) Show SMILES Clc1ccc2[nH]c(=O)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12| Show InChI InChI=1S/C17H8ClNO3/c18-8-1-4-12-11(7-8)9-2-3-10-13(20)5-6-14(21)15(10)16(9)17(22)19-12/h1-7H,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principall...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251722 (CHEMBL4098262) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3oc(=O)c21 |c:2| Show InChI InChI=1S/C17H8O4/c18-12-7-8-13(19)15-11(12)6-5-10-9-3-1-2-4-14(9)21-17(20)16(10)15/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251688 (CHEMBL4086414) Show SMILES Oc1ccc2c(c1)oc(=O)c1c3C(=O)C=CC(=O)c3ccc21 |c:15| Show InChI InChI=1S/C17H8O5/c18-8-1-2-9-10-3-4-11-12(19)5-6-13(20)15(11)16(10)17(21)22-14(9)7-8/h1-7,18H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251696 (CHEMBL4104313) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccc(OCc4ccccc4)cc3oc(=O)c21 |c:2| Show InChI InChI=1S/C24H14O5/c25-19-10-11-20(26)22-18(19)9-8-17-16-7-6-15(12-21(16)29-24(27)23(17)22)28-13-14-4-2-1-3-5-14/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251698 (CHEMBL4105005) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3[nH]c(=O)c21 |c:2| Show InChI InChI=1S/C17H9NO3/c19-13-7-8-14(20)15-11(13)6-5-10-9-3-1-2-4-12(9)18-17(21)16(10)15/h1-8H,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50251731 (CHEMBL4087165) Show SMILES Cn1c2ccccc2c2ccc3C(=O)C=CC(=O)c3c2c1=O |c:15| Show InChI InChI=1S/C18H11NO3/c1-19-13-5-3-2-4-10(13)11-6-7-12-14(20)8-9-15(21)16(12)17(11)18(19)22/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50251722 (CHEMBL4098262) Show SMILES O=C1C=CC(=O)c2c1ccc1c3ccccc3oc(=O)c21 |c:2| Show InChI InChI=1S/C17H8O4/c18-12-7-8-13(19)15-11(12)6-5-10-9-3-1-2-4-14(9)21-17(20)16(10)15/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged truncated CDC25B expressed in bacterial expression system using 3-O-methylfluorescein phosphate as substra...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50251731 (CHEMBL4087165) Show SMILES Cn1c2ccccc2c2ccc3C(=O)C=CC(=O)c3c2c1=O |c:15| Show InChI InChI=1S/C18H11NO3/c1-19-13-5-3-2-4-10(13)11-6-7-12-14(20)8-9-15(21)16(12)17(11)18(19)22/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as s...				Eur J Med Chem 134: 316-333 (2017) Article DOI: 10.1016/j.ejmech.2017.04.012 BindingDB Entry DOI: 10.7270/Q2WD4311
					More data for this Ligand-Target Pair