Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'NADP-dependent malic enzyme'   

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
NADP-dependent malic enzyme (Escherichia coli (strain K12))	BDBM50338502 (5-O-phosphate-1-N-(4'-(4''-methoxyhenyl))-[1',2',3...) Show SMILES COc1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H18N3O8P/c1-23-9-4-2-8(3-5-9)10-6-17(16-15-10)14-13(19)12(18)11(25-14)7-24-26(20,21)22/h2-6,11-14,18-19H,7H2,1H3,(H2,20,21,22)/t11-,12-,13-,14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Physics Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K-12 recombinant NAD-dependent malic enzyme by Dixon plot				Bioorg Med Chem Lett 21: 1667-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.107 BindingDB Entry DOI: 10.7270/Q2JD4X3R
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177180 (3-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-phenylpyrr...) Show SMILES Oc1cc(N2CCN(CC2)c2ccc(O)cc2)c(O)n1-c1ccccc1 Show InChI InChI=1S/C20H21N3O3/c24-17-8-6-15(7-9-17)21-10-12-22(13-11-21)18-14-19(25)23(20(18)26)16-4-2-1-3-5-16/h1-9,14,24-26H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177175 (1-benzyl-3-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-p...) Show SMILES Oc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C21H23N3O3/c25-18-8-6-17(7-9-18)22-10-12-23(13-11-22)19-14-20(26)24(21(19)27)15-16-4-2-1-3-5-16/h1-9,19,25H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177184 (1-(3-chloro-4-methylphenyl)3-(4-(4-hydroxyphenyl)p...) Show SMILES Cc1ccc(cc1Cl)-n1c(O)cc(N2CCN(CC2)c2ccc(O)cc2)c1O Show InChI InChI=1S/C21H22ClN3O3/c1-14-2-3-16(12-18(14)22)25-20(27)13-19(21(25)28)24-10-8-23(9-11-24)15-4-6-17(26)7-5-15/h2-7,12-13,26-28H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177177 (1-phenyl-3-(4-(3-(trifluoromethyl)phenyl)piperazin...) Show SMILES Oc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(O)n1-c1ccccc1 Show InChI InChI=1S/C21H20F3N3O2/c22-21(23,24)15-5-4-8-17(13-15)25-9-11-26(12-10-25)18-14-19(28)27(20(18)29)16-6-2-1-3-7-16/h1-8,13-14,28-29H,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177178 (1-benzyl-3-(4-(3-hydroxyphenyl)piperazin-1-yl)pyrr...) Show SMILES Oc1cccc(c1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C21H23N3O3/c25-18-8-4-7-17(13-18)22-9-11-23(12-10-22)19-14-20(26)24(21(19)27)15-16-5-2-1-3-6-16/h1-8,13,19,25H,9-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177179 (3-(4-(4-fluorophenyl)piperazin-1-yl)-1-phenylpyrro...) Show SMILES Oc1cc(N2CCN(CC2)c2ccc(F)cc2)c(O)n1-c1ccccc1 Show InChI InChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,14,25-26H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177182 (1-benzyl-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrr...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C22H25N3O3/c1-28-19-9-7-18(8-10-19)23-11-13-24(14-12-23)20-15-21(26)25(22(20)27)16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177176 (1-benzyl-3-(4-(2-hydroxyphenyl)piperazin-1-yl)pyrr...) Show SMILES Oc1ccccc1N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C21H23N3O3/c25-19-9-5-4-8-17(19)22-10-12-23(13-11-22)18-14-20(26)24(21(18)27)15-16-6-2-1-3-7-16/h1-9,18,25H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177183 (1-(2,3-dichlorophenyl)-3-(4-(4-methoxyphenyl)piper...) Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H21Cl2N3O3/c1-29-15-7-5-14(6-8-15)24-9-11-25(12-10-24)18-13-19(27)26(21(18)28)17-4-2-3-16(22)20(17)23/h2-8,13,27-28H,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair
NADP-dependent malic enzyme (Homo sapiens)	BDBM50177181 (3-(4-(4-methoxyphenyl)piperazin-1-yl)-1-phenylpyrr...) Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccccc1 Show InChI InChI=1S/C21H23N3O3/c1-27-18-9-7-16(8-10-18)22-11-13-23(14-12-22)19-15-20(25)24(21(19)26)17-5-3-2-4-6-17/h2-10,15,25-26H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cytrx Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against cytosolic malic enzyme				Bioorg Med Chem Lett 16: 525-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.065 BindingDB Entry DOI: 10.7270/Q2VH5NF4
					More data for this Ligand-Target Pair