Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50041095   

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
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404710 (CHEMBL434275) Show SMILES OC(=O)c1cnc2cc(OCc3ccc(Oc4ccccc4)cc3)ccc2c1O Show InChI InChI=1S/C23H17NO5/c25-22-19-11-10-18(12-21(19)24-13-20(22)23(26)27)28-14-15-6-8-17(9-7-15)29-16-4-2-1-3-5-16/h1-13H,14H2,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404705 (CHEMBL348630) Show SMILES OC(=O)c1cnc2cc(OCCc3ccc(Oc4ccccc4)cc3)ccc2c1O Show InChI InChI=1S/C24H19NO5/c26-23-20-11-10-19(14-22(20)25-15-21(23)24(27)28)29-13-12-16-6-8-18(9-7-16)30-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404703 (CHEMBL155684) Show SMILES OC(=O)c1cnc2cc(OCCc3ccc4ccccc4c3)ccc2c1O Show InChI InChI=1S/C22H17NO4/c24-21-18-8-7-17(12-20(18)23-13-19(21)22(25)26)27-10-9-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11-13H,9-10H2,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404702 (CHEMBL160429) Show SMILES OC(=O)c1cnc2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1O Show InChI InChI=1S/C24H19NO6/c26-23-20-11-10-19(14-22(20)25-15-21(23)24(27)28)30-13-12-29-16-6-8-18(9-7-16)31-17-4-2-1-3-5-17/h1-11,14-15H,12-13H2,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404714 (CHEMBL160432) Show SMILES OC(=O)c1cnc2cc(OCCc3ccc(Br)cc3)ccc2c1O Show InChI InChI=1S/C18H14BrNO4/c19-12-3-1-11(2-4-12)7-8-24-13-5-6-14-16(9-13)20-10-15(17(14)21)18(22)23/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404729 (CHEMBL351540) Show SMILES OC(=O)c1cnc2cc(OCCc3ccccc3)ccc2c1O Show InChI InChI=1S/C18H15NO4/c20-17-14-7-6-13(10-16(14)19-11-15(17)18(21)22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404727 (CHEMBL138298) Show SMILES CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C12H12N2O3/c1-14(2)7-3-4-8-10(5-7)13-6-9(11(8)15)12(16)17/h3-6H,1-2H3,(H,13,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404711 (CHEMBL343799) Show SMILES CS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C11H9NO5S/c1-18(16,17)6-2-3-7-9(4-6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404708 (CHEMBL160456) Show SMILES NC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C11H8N2O4/c12-10(15)5-1-2-6-8(3-5)13-4-7(9(6)14)11(16)17/h1-4H,(H2,12,15)(H,13,14)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404716 (CHEMBL139402) Show SMILES NS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C10H8N2O5S/c11-18(16,17)5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)(H2,11,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404713 (CHEMBL141025) Show SMILES CC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C12H9NO4/c1-6(14)7-2-3-8-10(4-7)13-5-9(11(8)15)12(16)17/h2-5H,1H3,(H,13,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404707 (CHEMBL138027) Show SMILES OC(=O)c1cnc2cc(O)ccc2c1O Show InChI InChI=1S/C10H7NO4/c12-5-1-2-6-8(3-5)11-4-7(9(6)13)10(14)15/h1-4,12H,(H,11,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404701 (CHEMBL139244) Show SMILES OC(=O)c1cnc2cc(ccc2c1O)[N+]([O-])=O Show InChI InChI=1S/C10H6N2O5/c13-9-6-2-1-5(12(16)17)3-8(6)11-4-7(9)10(14)15/h1-4H,(H,11,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404728 (CHEMBL139078) Show SMILES OC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O Show InChI InChI=1S/C11H7NO5/c13-9-6-2-1-5(10(14)15)3-8(6)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.29E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404712 (CHEMBL1161215) Show SMILES OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O Show InChI InChI=1S/C10H7NO6S/c12-9-6-2-1-5(18(15,16)17)3-8(6)11-4-7(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.09E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404718 (CHEMBL344461) Show SMILES OC(=O)c1cnc2cc(Cl)ccc2c1O Show InChI InChI=1S/C10H6ClNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.68E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair
Malate dehydrogenase, cytoplasmic (Sus scrofa (pig))	BDBM50404721 (CHEMBL345688) Show SMILES OC(=O)c1cnc2cc(F)ccc2c1O Show InChI InChI=1S/C10H6FNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit cytoplasmic malate dehydrogenase				J Med Chem 25: 57-63 (1982) BindingDB Entry DOI: 10.7270/Q2DR2WQV
					More data for this Ligand-Target Pair