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Compile Data Set for Download or QSAR

Found 42 hits of ki for UniProtKB: P00328   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Alcohol dehydrogenase E/S chain


(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 |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
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 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)


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


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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 |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
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 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)


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


(Equus caballus)		BDBM50224817
PNG
(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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 |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
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 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)


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


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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 |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
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 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)


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


(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224866
PNG
(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alcohol dehydrogenase E/S chain


(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(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)
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 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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224829
PNG
(CHEMBL174477 | Ethanesulfinyl-Ethane)
Show SMILES CC[S+]([O-])CC
Show InChI InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
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 1.10E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224865
PNG
(6-Hydroxy-Hexanoic Acid Amide | CHEMBL172228)
Show SMILES NC(=O)CCCCCO
Show InChI InChI=1S/C6H13NO2/c7-6(9)4-2-1-3-5-8/h8H,1-5H2,(H2,7,9)
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 1.50E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50236982
PNG
(CHEMBL256250 | HYDRAZINECARBOTHIOAMIDE | Thiosemic...)
Show SMILES NNC(N)=S
Show InChI InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
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 1.90E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224834
PNG
(2,2,3,3,4,4,4-Heptafluoro-Butyramide | HEPTAFLUORO...)
Show SMILES NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
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 2.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224825
PNG
(Isobutyric Acid Hydrazide)
Show SMILES CC(C)C(=O)NN
Show InChI InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
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 2.90E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224820
PNG
(5-Hydroxy-Pentanoic Acid Amide | CHEMBL174400)
Show SMILES NC(=O)CCCCO
Show InChI InChI=1S/C5H11NO2/c6-5(8)3-1-2-4-7/h7H,1-4H2,(H2,6,8)
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 4.40E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224863
PNG
(CHEMBL174361 | Methanesulfinylmethyl-Benzene)
Show SMILES C[S+]([O-])Cc1ccccc1
Show InChI InChI=1S/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
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 5.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224816
PNG
(3-Chloro-Propionamide | CHEMBL171266)
Show SMILES NC(=O)CCCl
Show InChI InChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)
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 5.30E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224824
PNG
(2,4-Dihydroxy-Butyramide | CHEMBL366756)
Show SMILES NC(=O)C(O)CCO
Show InChI InChI=1S/C4H9NO3/c5-4(8)3(7)1-2-6/h3,6-7H,1-2H2,(H2,5,8)
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 5.80E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224828
PNG
(4-Hydroxy-Butyramide | CHEMBL174258)
Show SMILES NC(=O)CCCO
Show InChI InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)
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 6.80E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224823
PNG
(3-Hydroxy-Propionamide | CHEMBL170341)
Show SMILES NC(=O)CCO
Show InChI InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)
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 8.50E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224882
PNG
(CHEMBL171714)
Show SMILES [O-][S+]1CCC(=O)CC1
Show InChI InChI=1S/C5H8O2S/c6-5-1-3-8(7)4-2-5/h1-4H2
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 9.70E+6n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50368057
PNG
(NSC-286193 | TIAZOFURINE)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
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>1.00E+7n/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)


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


(Equus caballus)		BDBM50366763
PNG
(BETANMN)
Show SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
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>1.00E+7n/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)


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


(Equus caballus)		BDBM50224821
PNG
(CHEMBL170059)
Show SMILES [O-][S+]1CCOCC1
Show InChI InChI=1S/C4H8O2S/c5-7-3-1-6-2-4-7/h1-4H2
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 1.06E+7n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224818
PNG
(CHEMBL171768 | Ethanesulfinyl-Benzene)
Show SMILES CC[S+]([O-])c1ccccc1
Show InChI InChI=1S/C8H10OS/c1-2-10(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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 1.25E+7n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM10
PNG
(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
Show SMILES O=C1CCCCN1
Show InChI InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
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 1.30E+7n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224826
PNG
(2-Carbamoylmethylsulfanyl-Acetamide | CHEMBL171496)
Show SMILES NC(=O)CSCC(N)=O
Show InChI InChI=1S/C4H8N2O2S/c5-3(7)1-9-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
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 3.60E+7n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50229993
PNG
(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)
Show SMILES NC(N)=S
Show InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
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 4.20E+7n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224830
PNG
(CHEMBL171361 | Thiomorpholine 1-Oxide)
Show SMILES [O-][S+]1CCNCC1
Show InChI InChI=1S/C4H9NOS/c6-7-3-1-5-2-4-7/h5H,1-4H2
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 1.20E+8n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224819
PNG
(CHEMBL171795)
Show SMILES [O-][S+]1CC[S+]([O-])CC1 |(8.17,-10.15,;8.17,-8.61,;6.85,-7.83,;6.85,-6.29,;8.17,-5.53,;8.16,-3.99,;9.5,-6.28,;9.5,-7.82,)|
Show InChI InChI=1S/C4H8O2S2/c5-7-1-2-8(6)4-3-7/h1-4H2
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 1.40E+8n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase E/S chain


(Equus caballus)		BDBM50224819
PNG
(CHEMBL171795)
Show SMILES [O-][S+]1CC[S+]([O-])CC1 |(8.17,-10.15,;8.17,-8.61,;6.85,-7.83,;6.85,-6.29,;8.17,-5.53,;8.16,-3.99,;9.5,-6.28,;9.5,-7.82,)|
Show InChI InChI=1S/C4H8O2S2/c5-7-1-2-8(6)4-3-7/h1-4H2
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 1.40E+8n/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)


BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair