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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Glutamate dehydrogenase 1, mitochondrial'   
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 1, mitochondrial


(Bos taurus)
BDBM50192456
PNG
([(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES NC(=O)C1=CN(C=CC1)C1OC(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 |c:6,t:3|
Show InChI InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10?,11-,13+,14-,15+,16-,20?,21-/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
Inhibition constant against mammalian glutamate dehydrogenase (GDH)


J Med Chem 37: 392-9 (1994)


BindingDB Entry DOI: 10.7270/Q2RN38H5
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(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 |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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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)


BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(Bos taurus)
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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1.50E+4n/an/an/an/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Inhibition of bovine glutamate dehydrogenase (GDH) enzyme by competitive inhibition


J Med Chem 36: 1855-9 (1993)


BindingDB Entry DOI: 10.7270/Q2X63NM4
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(Bos taurus)
BDBM50368954
PNG
(CHEMBL610377)
Show SMILES NC(=O)c1cncc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([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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1.50E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
Apparent inhibition constant against mammalian glutamate dehydrogenase (GDH)


J Med Chem 37: 392-9 (1994)


BindingDB Entry DOI: 10.7270/Q2RN38H5
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(Bos taurus)
BDBM50368955
PNG
(CHEMBL1235132)
Show SMILES NC(=O)c1cccc([nH+]1)[C@@H]1O[C@H](COP([O-])(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,@@:14|
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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2.10E+4n/an/an/an/an/an/an/an/a



University of Rochester Medical Center

Curated by ChEMBL


Assay Description
Inhibition constant against mammalian glutamate dehydrogenase (GDH)


J Med Chem 37: 392-9 (1994)


BindingDB Entry DOI: 10.7270/Q2RN38H5
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(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 |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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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)


BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(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 |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 bovine liver glutamate dehydrogenase (GDH)


J Med Chem 33: 1123-7 (1990)


BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair
Glutamate dehydrogenase 1, mitochondrial


(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 |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 bovine liver glutamate dehydrogenase (GDH)


J Med Chem 33: 1123-7 (1990)


BindingDB Entry DOI: 10.7270/Q28P6131
More data for this
Ligand-Target Pair