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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'sessions' and Initial = 'rb'   
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
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23232
PNG
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)
Show SMILES OC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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210 -38.1 650n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23251
PNG
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)
Show SMILES OC(=O)c1ns[nH]c1=O
Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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290 -37.3 140n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23242
PNG
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)
Show SMILES OC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
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470 -36.1 1.10E+3n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23251
PNG
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)
Show SMILES OC(=O)c1ns[nH]c1=O
Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23243
PNG
(1,2(1,5)-Isoxazole, IOA2 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1nocc1O
Show InChI InChI=1S/C4H3NO4/c6-2-1-9-5-3(2)4(7)8/h1,6H,(H,7,8)
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n/an/a 1.60E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-4


(Homo sapiens)
BDBM50531838
PNG
(Pirazidol | Pirlindole)
Show SMILES Cc1ccc2n3CCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of Gal4-fused TEAD2 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level a...


J Med Chem 62: 1291-1305 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01402
BindingDB Entry DOI: 10.7270/Q2DV1PB3
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-3


(Homo sapiens)
BDBM50531838
PNG
(Pirazidol | Pirlindole)
Show SMILES Cc1ccc2n3CCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
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UniChem
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of Gal4-fused TEAD4 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level a...


J Med Chem 62: 1291-1305 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01402
BindingDB Entry DOI: 10.7270/Q2DV1PB3
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-1


(Homo sapiens)
BDBM50531838
PNG
(Pirazidol | Pirlindole)
Show SMILES Cc1ccc2n3CCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
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UniChem
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of Gal4-fused TEAD1 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level a...


J Med Chem 62: 1291-1305 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01402
BindingDB Entry DOI: 10.7270/Q2DV1PB3
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-5


(Homo sapiens)
BDBM50531838
PNG
(Pirazidol | Pirlindole)
Show SMILES Cc1ccc2n3CCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of Gal4-fused TEAD3 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level a...


J Med Chem 62: 1291-1305 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01402
BindingDB Entry DOI: 10.7270/Q2DV1PB3
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-1


(Homo sapiens)
BDBM50531837
PNG
(CHEMBL4578591)
Show SMILES [H][C@@]12CCCc3c1n(CCN2C[C@H](O)CN1CCN(CC1)C(=O)c1ccco1)c1ccc(C)cc31 |r|
Show InChI InChI=1S/C27H34N4O3/c1-19-7-8-23-22(16-19)21-4-2-5-24-26(21)31(23)14-13-30(24)18-20(32)17-28-9-11-29(12-10-28)27(33)25-6-3-15-34-25/h3,6-8,15-16,20,24,32H,2,4-5,9-14,17-18H2,1H3/t20-,24-/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Inhibition of NL-tagged YAP (unknown origin) interaction with myc-tagged human TEAD1 preincubated for 1 hr followed by NL-tagged YAP addition by Nano...


J Med Chem 62: 1291-1305 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01402
BindingDB Entry DOI: 10.7270/Q2DV1PB3
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23242
PNG
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)
Show SMILES OC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Southmead Hospital

Curated by ChEMBL


Assay Description
Displacement of [125I]NGF from full length human TrkA expressed in HEKN3S cells cells by gamma counting based radioligand competition assay


J Med Chem 58: 767-77 (2015)


Article DOI: 10.1021/jm501307e
BindingDB Entry DOI: 10.7270/Q25B045H
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23232
PNG
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)
Show SMILES OC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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n/an/a 7.21E+4n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23250
PNG
(1,2(1,5)-Isoxazole, IOA9 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1noc(C(O)=O)c1O
Show InChI InChI=1S/C5H3NO6/c7-2-1(4(8)9)6-12-3(2)5(10)11/h7H,(H,8,9)(H,10,11)
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n/an/a 8.10E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23258
PNG
(1H-1,2,3-triazole-5-carboxylic acid | Triazole, TR...)
Show SMILES OC(=O)c1cnn[nH]1
Show InChI InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
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n/an/a 9.80E+4n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23256
PNG
(1-benzyl-4-hydroxy-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES OC(=O)c1c(O)nnn1Cc1ccccc1
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)13(12-11-9)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23257
PNG
(2-benzyl-5-hydroxy-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES OC(=O)c1nn(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)11-13(12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H,15,16)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23244
PNG
(1,2(1,5)-Isoxazole, IOA3 | 3-hydroxy-5-methyl-1,2-...)
Show SMILES Cc1o[nH]c(=O)c1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-2-3(5(8)9)4(7)6-10-2/h1H3,(H,6,7)(H,8,9)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23239
PNG
(1,2,5-oxadiazole, OXD7 | ethyl 4-hydroxy-1,2,5-oxa...)
Show SMILES CCOC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C5H6N2O4/c1-2-10-5(9)3-4(8)7-11-6-3/h2H2,1H3,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23245
PNG
(1,2(1,5)-Isoxazole, IOA4 | 2-methyl-3-oxo-2,3-dihy...)
Show SMILES Cn1occ(C(O)=O)c1=O
Show InChI InChI=1S/C5H5NO4/c1-6-4(7)3(2-10-6)5(8)9/h2H,1H3,(H,8,9)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23246
PNG
(1,2(1,5)-Isoxazole, IOA5 | 3-methoxy-1,2-oxazole-4...)
Show SMILES COc1nocc1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23243
PNG
(1,2(1,5)-Isoxazole, IOA2 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1nocc1O
Show InChI InChI=1S/C4H3NO4/c6-2-1-9-5-3(2)4(7)8/h1,6H,(H,7,8)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23244
PNG
(1,2(1,5)-Isoxazole, IOA3 | 3-hydroxy-5-methyl-1,2-...)
Show SMILES Cc1o[nH]c(=O)c1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-2-3(5(8)9)4(7)6-10-2/h1H3,(H,6,7)(H,8,9)
PDB
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23245
PNG
(1,2(1,5)-Isoxazole, IOA4 | 2-methyl-3-oxo-2,3-dihy...)
Show SMILES Cn1occ(C(O)=O)c1=O
Show InChI InChI=1S/C5H5NO4/c1-6-4(7)3(2-10-6)5(8)9/h2H,1H3,(H,8,9)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23246
PNG
(1,2(1,5)-Isoxazole, IOA5 | 3-methoxy-1,2-oxazole-4...)
Show SMILES COc1nocc1C(O)=O
Show InChI InChI=1S/C5H5NO4/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23247
PNG
(1,2(1,5)-Isoxazole, IOA6 | ethyl 3-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-11-7-5(4)8/h3H,2H2,1H3,(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23255
PNG
(5-hydroxy-2-methyl-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES Cn1nc(C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C4H5N3O3/c1-7-5-2(4(9)10)3(8)6-7/h1H3,(H,6,8)(H,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23254
PNG
(4-hydroxy-1-methyl-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES Cn1nnc(O)c1C(O)=O
Show InChI InChI=1S/C4H5N3O3/c1-7-2(4(9)10)3(8)5-6-7/h8H,1H3,(H,9,10)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23248
PNG
(1,2(1,5)-Isoxazole, IOA7 | methyl 5-hydroxy-3-meth...)
Show SMILES COC(=O)c1c(C)[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-3-4(5(8)10-2)6(9)11-7-3/h7H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23252
PNG
(1,2,5-Thiadiazole, TDA2 | 4-amino-1,2,5-thiadiazol...)
Show SMILES Nc1nsnc1C(O)=O
Show InChI InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23249
PNG
(1,2(1,5)-Isoxazole, IOA8 | ethyl 5-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1c[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,7H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23248
PNG
(1,2(1,5)-Isoxazole, IOA7 | methyl 5-hydroxy-3-meth...)
Show SMILES COC(=O)c1c(C)[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-3-4(5(8)10-2)6(9)11-7-3/h7H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23249
PNG
(1,2(1,5)-Isoxazole, IOA8 | ethyl 5-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1c[nH]oc1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,7H,2H2,1H3
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23250
PNG
(1,2(1,5)-Isoxazole, IOA9 | 4-hydroxy-1,2-oxazole-3...)
Show SMILES OC(=O)c1noc(C(O)=O)c1O
Show InChI InChI=1S/C5H3NO6/c7-2-1(4(8)9)6-12-3(2)5(10)11/h7H,(H,8,9)(H,10,11)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23252
PNG
(1,2,5-Thiadiazole, TDA2 | 4-amino-1,2,5-thiadiazol...)
Show SMILES Nc1nsnc1C(O)=O
Show InChI InChI=1S/C3H3N3O2S/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23253
PNG
(1,2,5-Thiadiazole, TDA3 | 4-methoxy-1,2,5-thiadiaz...)
Show SMILES COc1nsnc1C(O)=O
Show InChI InChI=1S/C4H4N2O3S/c1-9-3-2(4(7)8)5-10-6-3/h1H3,(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23254
PNG
(4-hydroxy-1-methyl-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES Cn1nnc(O)c1C(O)=O
Show InChI InChI=1S/C4H5N3O3/c1-7-2(4(9)10)3(8)5-6-7/h8H,1H3,(H,9,10)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23255
PNG
(5-hydroxy-2-methyl-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES Cn1nc(C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C4H5N3O3/c1-7-5-2(4(9)10)3(8)6-7/h1H3,(H,6,8)(H,9,10)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23256
PNG
(1-benzyl-4-hydroxy-1H-1,2,3-triazole-5-carboxylic ...)
Show SMILES OC(=O)c1c(O)nnn1Cc1ccccc1
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)13(12-11-9)6-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23257
PNG
(2-benzyl-5-hydroxy-2H-1,2,3-triazole-4-carboxylic ...)
Show SMILES OC(=O)c1nn(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C10H9N3O3/c14-9-8(10(15)16)11-13(12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)(H,15,16)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23247
PNG
(1,2(1,5)-Isoxazole, IOA6 | ethyl 3-hydroxy-1,2-oxa...)
Show SMILES CCOC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C6H7NO4/c1-2-10-6(9)4-3-11-7-5(4)8/h3H,2H2,1H3,(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase


(Plasmodium falciparum)
BDBM23253
PNG
(1,2,5-Thiadiazole, TDA3 | 4-methoxy-1,2,5-thiadiaz...)
Show SMILES COc1nsnc1C(O)=O
Show InChI InChI=1S/C4H4N2O3S/c1-9-3-2(4(7)8)5-10-6-3/h1H3,(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23258
PNG
(1H-1,2,3-triazole-5-carboxylic acid | Triazole, TR...)
Show SMILES OC(=O)c1cnn[nH]1
Show InChI InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23241
PNG
(1,2,5-oxadiazole, OXD9 | ethyl 4-[(4-methoxyphenyl...)
Show SMILES CCOC(=O)c1nonc1OCc1ccc(OC)cc1
Show InChI InChI=1S/C13H14N2O5/c1-3-18-13(16)11-12(15-20-14-11)19-8-9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23240
PNG
(1,2,5-oxadiazole, OXD8 | 4-{[(2E)-3-phenylprop-2-e...)
Show SMILES OC(=O)c1nonc1OC\C=C\c1ccccc1
Show InChI InChI=1S/C12H10N2O4/c15-12(16)10-11(14-18-13-10)17-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,15,16)/b7-4+
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23238
PNG
((3,4-dichlorophenyl)methyl 4-hydroxy-1,2,5-oxadiaz...)
Show SMILES Clc1ccc(COC(=O)c2no[nH]c2=O)cc1Cl
Show InChI InChI=1S/C10H6Cl2N2O4/c11-6-2-1-5(3-7(6)12)4-17-10(16)8-9(15)14-18-13-8/h1-3H,4H2,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23237
PNG
(1,2,5-oxadiazole, OXD5 | 2-(4-hydroxy-1,2,5-oxadia...)
Show SMILES OC(=O)Cc1no[nH]c1=O
Show InChI InChI=1S/C4H4N2O4/c7-3(8)1-2-4(9)6-10-5-2/h1H2,(H,6,9)(H,7,8)
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University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23236
PNG
(1,2,5-oxadiazole, OXD4 | 1,2,5-oxadiazole-3-carbox...)
Show SMILES OC(=O)c1cnon1
Show InChI InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23235
PNG
(1,2,5-oxadiazole, OXD3 | 4-[(2-hydroxyethyl)amino]...)
Show SMILES OCCNc1nonc1C(O)=O
Show InChI InChI=1S/C5H7N3O4/c9-2-1-6-4-3(5(10)11)7-12-8-4/h9H,1-2H2,(H,6,8)(H,10,11)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM23234
PNG
(1,2,5-oxadiazole, OXD2 | 4-amino-1,2,5-oxadiazole-...)
Show SMILES Nc1nonc1C(O)=O
Show InChI InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
PDB
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PC cid
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...


J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair
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