Compile Data Set for Download or QSAR

Found 84 hits of ki for UniProtKB: P00328   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50368629 (CHEMBL2368671) Show SMILES NC(=O)c1cncc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11+,13-,14+,15-,16+,17+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibition of horse liver alcohol dehydrogenase enzyme by Non-competitive inhibition				J Med Chem 36: 1855-9 (1993) BindingDB Entry DOI: 10.7270/Q2X63NM4
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226204 (CHEMBL160460) Show SMILES CCCCCCc1cn[nH]c1 Show InChI InChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226167 (CHEMBL156094) Show SMILES CCCCCc1cn[nH]c1 Show InChI InChI=1S/C8H14N2/c1-2-3-4-5-8-6-9-10-7-8/h6-7H,2-5H2,1H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226205 (CHEMBL345910) Show SMILES O=CNCc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C15H15NO2/c17-12-16-10-13-6-8-15(9-7-13)18-11-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226189 (CHEMBL351768) Show SMILES CCCc1cn[nH]c1 Show InChI InChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226185 (CHEMBL449955) Show SMILES CCCCCCc1ccc(CNC=O)cc1 Show InChI InChI=1S/C14H21NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-15-12-16/h7-10,12H,2-6,11H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226190 (CHEMBL156155) Show SMILES CCCCCOc1ccc(CNC=O)cc1 Show InChI InChI=1S/C13H19NO2/c1-2-3-4-9-16-13-7-5-12(6-8-13)10-14-11-15/h5-8,11H,2-4,9-10H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226195 (CHEMBL158183) Show SMILES CCCCOc1ccc(CNC=O)cc1 Show InChI InChI=1S/C12H17NO2/c1-2-3-8-15-12-6-4-11(5-7-12)9-13-10-14/h4-7,10H,2-3,8-9H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226186 (4-MP | 4-Methylpyrazole | Antizol | CHEBI:5141 | F...) Show SMILES Cc1cn[nH]c1 Show InChI InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226177 (CHEMBL351794) Show SMILES NC(=O)Cc1ccc(OCC2CCCCC2)cc1 Show InChI InChI=1S/C15H21NO2/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226207 (CHEMBL348324) Show SMILES CCCCCOc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C13H19NO2/c1-2-3-4-9-16-12-7-5-11(6-8-12)10-13(14)15/h5-8H,2-4,9-10H2,1H3,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226200 (CHEMBL346707) Show SMILES Oc1ccc(CNC=O)cc1 Show InChI InChI=1S/C8H9NO2/c10-6-9-5-7-1-3-8(11)4-2-7/h1-4,6,11H,5H2,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50390969 (PYRAZOLE) Show SMILES c1cn[nH]c1 Show InChI InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem	PDB PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226201 (CHEMBL155857) Show SMILES NC(=O)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C15H15NO2/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226180 (CHEMBL155736) Show SMILES NC(=O)Cc1ccc(OCc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H14BrNO2/c16-13-5-1-12(2-6-13)10-19-14-7-3-11(4-8-14)9-15(17)18/h1-8H,9-10H2,(H2,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50064288 (CHEMBL46293 | N-(phenylmethyl)formamide | N-BENZYL...) Show SMILES O=CNCc1ccccc1 Show InChI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226199 (CHEMBL157956) Show SMILES CC(C)CCOc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C13H19NO2/c1-10(2)7-8-16-12-5-3-11(4-6-12)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226178 (CHEMBL345636) Show SMILES CCCCOc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C12H17NO2/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226174 (CHEMBL156355) Show SMILES NC(=O)Cc1ccc(I)cc1 Show InChI InChI=1S/C8H8INO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224822 (1-Methanesulfinyl-Tetradecane | CHEMBL172099) Show SMILES CCCCCCCCCCCCCC[S+](C)[O-] Show InChI InChI=1S/C15H32OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16/h3-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224861 (TETRAMETHYLENE SULFOXIDE | Tetrahydro-Thiophene-1-...) Show SMILES [O-][S+]1CCCC1 Show InChI InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226206 (CHEMBL156437) Show SMILES NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226202 (CHEMBL351777) Show SMILES NC(=O)Cc1ccc(Br)cc1 Show InChI InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50230758 (CHEMBL3144046) Show SMILES NC(=O)c1cccc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11+,13-,14+,15-,16+,17+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibition of horse liver alcohol dehydrogenase enzyme by non-competitive inhibition				J Med Chem 36: 1855-9 (1993) BindingDB Entry DOI: 10.7270/Q2X63NM4
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224817 (Isovaleramide | NFS1776) Show SMILES CC(C)CC(N)=O Show InChI InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226197 (CHEMBL157245) Show SMILES CCCOc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C11H15NO2/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h3-6H,2,7-8H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50421763 (CHEMBL2364562) Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase (ADH)				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224862 (1-Methanesulfinyl-Hexane | CHEMBL355227) Show SMILES CCCCCC[S+](C)[O-] Show InChI InChI=1S/C7H16OS/c1-3-4-5-6-7-9(2)8/h3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226196 (CHEMBL160368) Show SMILES NC(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226183 (CHEMBL157604) Show SMILES COc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	7.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226198 (CHEMBL157192) Show SMILES CCOc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C10H13NO2/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226172 (CHEMBL157024) Show SMILES CC(C)Oc1ccc(CC(N)=O)cc1 Show InChI InChI=1S/C11H15NO2/c1-8(2)14-10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H2,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50367221 (CHEMBL3144022 | CHEMBL604140) Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H13N2O8PS/c10-8(14)3-2-21-9(11-3)7-6(13)5(12)4(19-7)1-18-20(15,16)17/h2,4-7,12-13H,1H2,(H2,10,14)(H2,15,16,17)/t4-,5-,6-,7?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Rochester Medical Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against horse liver Alcohol dehydrogenase				J Med Chem 33: 1123-7 (1990) BindingDB Entry DOI: 10.7270/Q28P6131
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226209 (CHEBI:16562 | CHEMBL347645 | GNF-Pf-1199) Show SMILES NC(=O)Cc1ccccc1 Show InChI InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224813 (CHEMBL368734 | Thietane 1-Oxide) Show SMILES [O-][S+]1CCC1 Show InChI InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224827 (3,3-Dimethyl-Butyramide | 3,3-Dimethylbutanamide |...) Show SMILES CC(C)(C)CC(N)=O Show InChI InChI=1S/C6H13NO/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H2,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50224866 (Isobutyramide) Show SMILES CC(C)C(N)=O Show InChI InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224814 (1-(Methylsulfinyl)Benzene | METHYLPHENYLSULFOXIDE ...) Show SMILES C[S+]([O-])c1ccccc1 Show InChI InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224866 (Isobutyramide) Show SMILES CC(C)C(N)=O Show InChI InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224864 (CYCLOHEXANE CARBOXAMIDE | Cyclohexanecarboxylic Ac...) Show SMILES NC(=O)C1CCCCC1 Show InChI InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224833 (CHEMBL414834) Show SMILES CC(C)C[S+](C)[O-] Show InChI InChI=1S/C5H12OS/c1-5(2)4-7(3)6/h5H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226176 (2-Ethyl-Butyramide | 2-Ethylbutanamide | CHEMBL349...) Show SMILES CCC(CC)C(N)=O Show InChI InChI=1S/C6H13NO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	3.89E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224815 (CHEMBL170078) Show SMILES CC(C)CC[S+](C)[O-] Show InChI InChI=1S/C6H14OS/c1-6(2)4-5-8(3)7/h6H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224860 (CHEMBL170710 | Tetrahydro-thiopyran-1-oxide) Show SMILES [O-][S+]1CCCCC1 Show InChI InChI=1S/C5H10OS/c6-7-4-2-1-3-5-7/h1-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224836 (CHEMBL165347 | Ethenesulfinyl-Benzene) Show SMILES [O-][S+](C=C)c1ccccc1 Show InChI InChI=1S/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224832 (CHEMBL278882 | Methanesulfinyl-Ethane) Show SMILES CC[S+](C)[O-] Show InChI InChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224835 (2-Methoxy-Acetamide | METHOXYACETAMIDE) Show SMILES COCC(N)=O Show InChI InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226192 (CHEMBL53752) Show SMILES C\C=C(/C)C(N)=O Show InChI InChI=1S/C5H9NO/c1-3-4(2)5(6)7/h3H,1-2H3,(H2,6,7)/b4-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	7.08E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair
Alcohol dehydrogenase E/S chain (Equus caballus)	BDBM50224831 (CHEBI:51457 | CYCLOPROPANECARBOXYLIC ACID AMIDE) Show SMILES NC(=O)C1CC1 Show InChI InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against horse liver alcohol dehydrogenase				J Med Chem 26: 916-22 (1983) BindingDB Entry DOI: 10.7270/Q2PR7Z5W
					More data for this Ligand-Target Pair
Alcohol dehydrogenase S chain (Equus caballus)	BDBM50226194 (2-Methyl-Acrylamide | CHEBI:51759 | CHEMBL158237) Show SMILES CC(=C)C(N)=O Show InChI InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against horse liver alcohol dehydrogenase (ADH)				J Med Chem 29: 615-20 (1986) BindingDB Entry DOI: 10.7270/Q22R3TV3
					More data for this Ligand-Target Pair

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