BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with Target = 'Alcohol dehydrogenase' AND taxid = 9796   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alcohol dehydrogenase


(Equus caballus)
BDBM50368629
PNG
(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
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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00065a008
BindingDB Entry DOI: 10.7270/Q2X63NM4
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226204
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226167
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226205
PNG
(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
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226189
PNG
(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
PC cid
PC sid
UniChem

Patents

Article
PubMed
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226185
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226190
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226195
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226186
PNG
(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
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
141n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226177
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226207
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226200
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50390969
PNG
(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
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.86E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226180
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226201
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50064288
PNG
(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
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
3.02E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226199
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.03E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226178
PNG
(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
PC cid
PC sid
UniChem
Article
PubMed
7.08E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226174
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224822
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224861
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226206
PNG
(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
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226202
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50230758
PNG
(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
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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00065a008
BindingDB Entry DOI: 10.7270/Q2X63NM4
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224817
PNG
(ISOVALERAMIDE | 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
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226197
PNG
(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
PC cid
PC sid
UniChem
Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50421763
PNG
(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
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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.65E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00166a007
BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224862
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226196
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.46E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226183
PNG
(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
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
7.08E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226172
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226198
PNG
(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
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50367221
PNG
(CHEMBL3144022 | CHEMBL604140)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00166a007
BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226209
PNG
(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
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224813
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224827
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50224866
PNG
(ISOBUTYRAMIDE | 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
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Equus caballus)
BDBM50224814
PNG
(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
PC cid
PC sid
UniChem
Article
PubMed
2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224866
PNG
(ISOBUTYRAMIDE | 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
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Equus caballus)
BDBM50224864
PNG
(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
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224833
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226176
PNG
(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
PC cid
PC sid
UniChem
Article
PubMed
3.89E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224815
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224860
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224832
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224836
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224835
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226192
PNG
(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
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.08E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224831
PNG
(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
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50226194
PNG
(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
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.55E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 85 total )  |  Next  |  Last  >>
Jump to: