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Compile Data Set for Download or QSAR

Found 1329 hits with Last Name = 'sulikowski' and Initial = 'ga'   
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 A chain


(Homo sapiens (Human))		BDBM50546980
PNG
(CHEMBL4792513)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546969
PNG
(CHEMBL4786682 | US11247971, Cmpd ID 409)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCCO)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537077
PNG
(US11247971, Cmpd ID 400)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CC3(F)F)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489091
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCOC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-5-4-19(12-25(21)41-14-18-7-8-40-13-18)27-20(9-17-3-6-26(22(31)10-17)43(32,38)39)24(11-16-1-2-16)35(34-27)29-33-23(15-42-29)28(36)37/h3-6,10,12,15-16,18H,1-2,7-9,11,13-14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546981
PNG
(CHEMBL4797357)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50220541
PNG
(CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...)
Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r|
Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin)

Bioorg Med Chem Lett 18: 4467-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.065
BindingDB Entry DOI: 10.7270/Q25T3K86
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489090
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- ((tetrah...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCC3CCCO3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C29H28F2N4O6S2/c30-21-7-6-18(13-25(21)41-14-19-2-1-9-40-19)27-20(10-17-5-8-26(22(31)11-17)43(32,38)39)24(12-16-3-4-16)35(34-27)29-33-23(15-42-29)28(36)37/h5-8,11,13,15-16,19H,1-4,9-10,12,14H2,(H,36,37)(H2,32,38,39)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546978
PNG
(CHEMBL4752940)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2COC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489160
PNG
(2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5-...)
Show SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C29H29F2N5O5S2/c1-29(2,3)34-26(37)18-13-17(7-8-20(18)30)25-19(10-16-6-9-24(21(31)11-16)43(32,40)41)23(12-15-4-5-15)36(35-25)28-33-22(14-42-28)27(38)39/h6-9,11,13-15H,4-5,10,12H2,1-3H3,(H,34,37)(H,38,39)(H2,32,40,41)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569440
PNG
(CHEMBL4877988 | US11752138, Compound 152)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(NC(=O)c3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546979
PNG
(CHEMBL4747300 | US11247971, Cmpd ID 423)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCOC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546977
PNG
(CHEMBL4759378)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)C2COC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546975
PNG
(CHEMBL4749903)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(O)C2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM536955
PNG
(US11247971, Cmpd ID 278)
Show SMILES COc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(cc1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489092
PNG
(2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopro...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C27H24F2N4O5S2/c28-19-7-4-16(12-23(19)38-17-5-6-17)25-18(9-15-3-8-24(20(29)10-15)40(30,36)37)22(11-14-1-2-14)33(32-25)27-31-21(13-39-27)26(34)35/h3-4,7-8,10,12-14,17H,1-2,5-6,9,11H2,(H,34,35)(H2,30,36,37)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546998
PNG
(CHEMBL4790159 | US11247971, Cmpd ID 405)
Show SMILES Cn1cncc1C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546970
PNG
(CHEMBL4783945 | US11247971, Cmpd ID 404)
Show SMILES COCC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546989
PNG
(CHEMBL4759499 | US11247971, Cmpd ID 417)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCN2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489161
PNG
(2-(3-(3- (benzylcarbamoyl)-4- fluorophenyl)-5- (cy...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)NCc2ccccc2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C32H27F2N5O5S2/c33-24-10-9-21(15-22(24)30(40)36-16-19-4-2-1-3-5-19)29-23(12-20-8-11-28(25(34)13-20)46(35,43)44)27(14-18-6-7-18)39(38-29)32-37-26(17-45-32)31(41)42/h1-5,8-11,13,15,17-18H,6-7,12,14,16H2,(H,36,40)(H,41,42)(H2,35,43,44)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546963
PNG
(CHEMBL4760911 | US11247971, Cmpd ID 410)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#C)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546971
PNG
(CHEMBL4777867 | US11247971, Cmpd ID 262)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50547000
PNG
(CHEMBL4783252 | US11247971, Cmpd ID 270)
Show SMILES CC#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546999
PNG
(CHEMBL4786717)
Show SMILES Cn1cc(cn1)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546990
PNG
(CHEMBL4794789)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CCC2CCCO2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546976
PNG
(CHEMBL4751495)
Show SMILES CC(C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O)C1COC1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546964
PNG
(CHEMBL4787940 | US11247971, Cmpd ID 401)
Show SMILES CC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50547016
PNG
(CHEMBL4752751 | US11247971, Cmpd ID 533)
Show SMILES C\C=C\c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50547010
PNG
(CHEMBL4740977 | US11752138, Compound 122)
Show SMILES Cc1cnc(o1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537013
PNG
(US11247971, Cmpd ID 336)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM488281
PNG
(2-(5-(cyclopropylmethyl)-4-(3- fluoro-4-sulfamoylb...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C30H24FN5O4S3/c1-17-33-22(15-41-17)9-7-18-3-2-4-21(11-18)28-23(12-20-8-10-27(24(31)13-20)43(32,39)40)26(14-19-5-6-19)36(35-28)30-34-25(16-42-30)29(37)38/h2-4,8,10-11,13,15-16,19H,5-6,12,14H2,1H3,(H,37,38)(H2,32,39,40)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546986
PNG
(CHEMBL4763489 | US11247971, Cmpd ID 443)
Show SMILES CC(F)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546965
PNG
(CHEMBL4762989 | US11752138, Compound 109)
Show SMILES CCC#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50547015
PNG
(CHEMBL4754755 | US11247971, Cmpd ID 532)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(\C=C\C3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537072
PNG
(US11247971, Cmpd ID 395)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546985
PNG
(CHEMBL4758290 | US11247971, Cmpd ID 440)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC(F)F)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546983
PNG
(CHEMBL4746658 | US11247971, Cmpd ID 442)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC#N)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546982
PNG
(CHEMBL4751355 | US11247971, Cmpd ID 261)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCNCC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546968
PNG
(CHEMBL4784731 | US11247971, Cmpd ID 402)
Show SMILES CC(C)(C)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50547011
PNG
(CHEMBL4784520)
Show SMILES Cc1cnc(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489085
PNG
(2-(3-(3- phenoxyphenyl)-4-(4- sulfamoylbenzyl)- 1H...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(Oc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H20N4O5S2/c27-37(33,34)22-11-9-17(10-12-22)13-19-15-30(26-28-23(16-36-26)25(31)32)29-24(19)18-5-4-8-21(14-18)35-20-6-2-1-3-7-20/h1-12,14-16H,13H2,(H,31,32)(H2,27,33,34)
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Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537071
PNG
(US11247971, Cmpd ID 394)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCC(F)(F)CC2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50272063
PNG
((S)-N-((1-allylpyrrolidin-2-yl)methyl)-5-(3-chloro...)
Show SMILES COc1cc(CCCCl)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r|
Show InChI InChI=1S/C20H29ClN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1
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Vanderbilt University

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor (unknown origin)

Bioorg Med Chem Lett 18: 4467-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.065
BindingDB Entry DOI: 10.7270/Q25T3K86
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537074
PNG
(US11247971, Cmpd ID 397)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)N2CCCC(F)(F)C2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM537017
PNG
(US11247971, Cmpd ID 340)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OCc3ccccc3)c2)-c2nc(cs2)C(O)=O)cc1F
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546967
PNG
(CHEMBL4761628 | US11247971, Cmpd ID 445)
Show SMILES CC(C)C#Cc1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489083
PNG
(2-(3-(3-((3- methoxybenzyl)oxy)phenyl)- 4-(4- sulf...)
Show SMILES COc1cccc(COc2cccc(c2)-c2nn(cc2Cc2ccc(cc2)S(N)(=O)=O)-c2nc(cs2)C(O)=O)c1
Show InChI InChI=1S/C28H24N4O6S2/c1-37-22-6-2-4-19(13-22)16-38-23-7-3-5-20(14-23)26-21(12-18-8-10-24(11-9-18)40(29,35)36)15-32(31-26)28-30-25(17-39-28)27(33)34/h2-11,13-15,17H,12,16H2,1H3,(H,33,34)(H2,29,35,36)
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TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489147
PNG
(2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3-((3- fluo...)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OCc3cccc(F)c3)c2)-c2nc(cs2)C(O)=O)cc1F
Show InChI InChI=1S/C31H25F3N4O5S2/c32-21-3-1-2-19(10-21)15-43-27-14-20(7-8-23(27)33)29-22(11-18-6-9-28(24(34)12-18)45(35,41)42)26(13-17-4-5-17)38(37-29)31-36-25(16-44-31)30(39)40/h1-3,6-10,12,14,16-17H,4-5,11,13,15H2,(H,39,40)(H2,35,41,42)
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50546973
PNG
(CHEMBL4782843 | US11247971, Cmpd ID 258)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00916
BindingDB Entry DOI: 10.7270/Q2057KJ6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50569441
PNG
(CHEMBL4875236)
Show SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM489086
PNG
(2-(3-(3-(pyridin-3- ylmethoxy)phenyl)-4- (4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(OCc3ccccn3)c2)-c2nc(cs2)C(O)=O)cc1
Show InChI InChI=1S/C26H21N5O5S2/c27-38(34,35)22-9-7-17(8-10-22)12-19-14-31(26-29-23(16-37-26)25(32)33)30-24(19)18-4-3-6-21(13-18)36-15-20-5-1-2-11-28-20/h1-11,13-14,16H,12,15H2,(H,32,33)(H2,27,34,35)
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127974
BindingDB Entry DOI: 10.7270/Q24J0JV6
More data for this
Ligand-Target Pair
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