Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'dunand' 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 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibi...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor comple...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174562 (CHEMBL3809320) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3O2S3/c1-28-15-8-2-12(3-9-15)10-18-19(27)25-22(30-18)26-21-24-16-11-17(29-20(16)31-21)13-4-6-14(23)7-5-13/h2-11H,1H3,(H,24,25,26,27)/b18-10+	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 using 3-O-methylfluorescein phosphate as subst...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174565 (CHEMBL3810404) Show SMILES Clc1ccc(cc1)-c1cc2nc(\N=C3\NC(=O)\C(S3)=C/c3ccc4ccccc4c3)sc2s1 Show InChI InChI=1S/C25H14ClN3OS3/c26-18-9-7-16(8-10-18)20-13-19-23(31-20)33-24(27-19)29-25-28-22(30)21(32-25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-13H,(H,27,28,29,30)/b21-12+	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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 using 3-O-methylfluorescein phosphate as subst...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174564 (CHEMBL3808579) Show SMILES Fc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H11ClFN3OS3/c22-13-5-3-12(4-6-13)16-10-15-19(28-16)30-20(24-15)26-21-25-18(27)17(29-21)9-11-1-7-14(23)8-2-11/h1-10H,(H,24,25,26,27)/b17-9+	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 using 3-O-methylfluorescein phosphate as subst...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50174563 (CHEMBL3808551) Show SMILES Cc1ccc(\C=C2\S\C(NC2=O)=N/c2nc3cc(sc3s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H14ClN3OS3/c1-12-2-4-13(5-3-12)10-18-19(27)25-22(29-18)26-21-24-16-11-17(28-20(16)30-21)14-6-8-15(23)9-7-14/h2-11H,1H3,(H,24,25,26,27)/b18-10+	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	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lorraine Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 using 3-O-methylfluorescein phosphate as subst...				Bioorg Med Chem 24: 2920-2928 (2016) Article DOI: 10.1016/j.bmc.2016.04.063 BindingDB Entry DOI: 10.7270/Q22J6DS9
					More data for this Ligand-Target Pair