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PubMed code 1969483

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Glutamate dehydrogenase


(Bos taurus)		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
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PubMed
 4.50E+3n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)

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
L-lactate dehydrogenase B chain


(Sus scrofa)		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
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 2.52E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig heart lactate dehydrogenase (LDH)

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)		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
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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)


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


(Sus scrofa (pig))		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
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 3.63E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig heart cytoplasmic malate dehydrogenase (MDH)

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
Glutamate dehydrogenase


(Bos taurus)		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
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PubMed
 6.52E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)

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)		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
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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)


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


(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
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)


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


(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
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)


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


(Bos taurus)		BDBM50368057
PNG
(NSC-286193 | TIAZOFURINE)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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 bovine liver glutamate dehydrogenase (GDH)

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
Glutamate dehydrogenase


(Bos taurus)		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
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 bovine liver glutamate dehydrogenase (GDH)

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)		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
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n/an/an/a 2.70E+4n/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
Dissociation constant from 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
* indicates data uncertainty>20%