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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'sonveaux' and Initial = 'p'   
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
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442711
PNG
(CHEMBL2442509)
Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442711
PNG
(CHEMBL2442509)
Show SMILES CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
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n/an/a 59n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442710
PNG
(CHEMBL1303766)
Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
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n/an/a 250n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442718
PNG
(CHEMBL2442512)
Show SMILES OC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O
Show InChI InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442710
PNG
(CHEMBL1303766)
Show SMILES CCN(CC)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17)
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n/an/a 860n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442717
PNG
(CHEMBL2442515)
Show SMILES OC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
Show InChI InChI=1S/C17H11FO5/c18-12-4-1-10(2-5-12)9-22-13-6-3-11-7-14(16(19)20)17(21)23-15(11)8-13/h1-8H,9H2,(H,19,20)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442716
PNG
(CHEMBL2442510)
Show SMILES CN(C)c1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C12H11NO4/c1-13(2)8-4-3-7-5-9(11(14)15)12(16)17-10(7)6-8/h3-6H,1-2H3,(H,14,15)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442715
PNG
(CHEMBL2442513)
Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C17H12O5/c18-16(19)14-8-12-6-7-13(9-15(12)22-17(14)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442714
PNG
(CHEMBL1830821)
Show SMILES COc1ccc2cc(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442713
PNG
(CHEMBL2442514)
Show SMILES OC(=O)c1cc2ccc(OCCc3ccccc3)cc2oc1=O
Show InChI InChI=1S/C18H14O5/c19-17(20)15-10-13-6-7-14(11-16(13)23-18(15)21)22-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442712
PNG
(CHEMBL2442508)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCOCC1
Show InChI InChI=1S/C14H13NO5/c16-13(17)11-7-9-1-2-10(8-12(9)20-14(11)18)15-3-5-19-6-4-15/h1-2,7-8H,3-6H2,(H,16,17)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442701
PNG
(CHEMBL2074836)
Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1
Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+
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n/an/a 1.07E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442702
PNG
(CHEMBL2442511 | US9296728, 26)
Show SMILES OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
Show InChI InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442703
PNG
(CHEMBL2442507)
Show SMILES COc1ccc2c(C)c(C(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C12H10O5/c1-6-8-4-3-7(16-2)5-9(8)17-12(15)10(6)11(13)14/h3-5H,1-2H3,(H,13,14)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442706
PNG
(CHEMBL2442504)
Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C24H19NO4/c26-23-21(24(27)28)13-19-11-12-20(29-16-18-9-5-2-6-10-18)14-22(19)25(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442705
PNG
(CHEMBL2442505)
Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C11H8O5/c1-5-7-3-2-6(12)4-8(7)16-11(15)9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442704
PNG
(CHEMBL2442506)
Show SMILES Cc1c(C(O)=O)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H14O5/c1-11-14-8-7-13(22-10-12-5-3-2-4-6-12)9-15(14)23-18(21)16(11)17(19)20/h2-9H,10H2,1H3,(H,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442709
PNG
(CHEMBL2442516)
Show SMILES OC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]c1=O
Show InChI InChI=1S/C17H13NO4/c19-16-14(17(20)21)8-12-6-7-13(9-15(12)18-16)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442708
PNG
(CHEMBL2442517)
Show SMILES Cn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O
Show InChI InChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442707
PNG
(CHEMBL2442503)
Show SMILES CCn1c2cc(OCc3ccccc3)ccc2cc(C(O)=O)c1=O
Show InChI InChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM50442701
PNG
(CHEMBL2074836)
Show SMILES Oc1ccc(\C=C(/C#N)C([O-])=O)cc1
Show InChI InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/p-1/b8-5+
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n/an/a 4.35E+4n/an/an/an/an/an/a



Institut de Recherche Exp£rimentale et Clinique (IREC)

Curated by ChEMBL


Assay Description
Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in cult...


Bioorg Med Chem 21: 7107-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.010
BindingDB Entry DOI: 10.7270/Q2H133G8
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527817
PNG
(CHEMBL4466441)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C42H76N10O11/c1-9-24(6)33-41(62)45-19-13-11-15-28(37(58)49-31(21-23(4)5)40(61)51-33)46-38(59)29(16-17-32(54)55)48-36(57)27(14-10-12-18-43)47-39(60)30(20-22(2)3)50-42(63)34(26(8)53)52-35(56)25(7)44/h22-31,33-34,53H,9-21,43-44H2,1-8H3,(H,45,62)(H,46,59)(H,47,60)(H,48,57)(H,49,58)(H,50,63)(H,51,61)(H,52,56)(H,54,55)/t24-,25-,26+,27-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 1.11E+9n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by n...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 2.33E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H I8A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50527803
PNG
(CHEMBL4557180)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r|
Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/an/a 1.17E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Competitive binding affinity to human N-terminal His6-tagged LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as protein-compound interacti...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527818
PNG
(CHEMBL4575384)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C63H112N16O18/c1-13-34(8)49(61(95)69-37(11)63(97)79-28-18-21-45(79)59(93)76-48(33(6)7)60(94)68-36(10)53(87)70-39(51(67)85)22-24-46(81)82)77-58(92)44(30-32(4)5)74-55(89)41(20-15-17-27-65)71-56(90)42(23-25-47(83)84)73-54(88)40(19-14-16-26-64)72-57(91)43(29-31(2)3)75-62(96)50(38(12)80)78-52(86)35(9)66/h31-45,48-50,80H,13-30,64-66H2,1-12H3,(H2,67,85)(H,68,94)(H,69,95)(H,70,87)(H,71,90)(H,72,91)(H,73,88)(H,74,89)(H,75,96)(H,76,93)(H,77,92)(H,78,86)(H,81,82)(H,83,84)/t34-,35-,36-,37-,38+,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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n/an/an/a 1.05E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) in sodium phosphate buffer at pH 7.6 b...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527816
PNG
(CHEMBL4452577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC1=O)C(N)=O)c2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C53H88N12O13S2/c1-10-29(6)42-52(77)57-31(8)46(71)62-39(44(56)69)25-79-23-33-14-13-15-34(22-33)24-80-26-40(51(76)60-38(21-28(4)5)50(75)64-42)63-48(73)36(17-18-41(67)68)59-47(72)35(16-11-12-19-54)58-49(74)37(20-27(2)3)61-53(78)43(32(9)66)65-45(70)30(7)55/h13-15,22,27-32,35-40,42-43,66H,10-12,16-21,23-26,54-55H2,1-9H3,(H2,56,69)(H,57,77)(H,58,74)(H,59,72)(H,60,76)(H,61,78)(H,62,71)(H,63,73)(H,64,75)(H,65,70)(H,67,68)/t29-,30-,31-,32+,35-,36-,37-,38-,39-,40-,42-,43-/m0/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527815
PNG
(CHEMBL4468125)
Show SMILES [H][C@@]1(CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(C)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C46H84N12O11/c1-9-27(6)37(39(49)62)57-45(68)34(23-26(4)5)54-40(63)31(16-10-13-19-47)53-44(67)35-24-36(61)50-21-15-12-18-30(51-29(8)60)42(65)58-38(28(7)59)46(69)56-33(22-25(2)3)43(66)52-32(41(64)55-35)17-11-14-20-48/h25-28,30-35,37-38,59H,9-24,47-48H2,1-8H3,(H2,49,62)(H,50,61)(H,51,60)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,69)(H,57,68)(H,58,65)/t27-,28+,30-,31-,32-,33-,34-,35-,37-,38-/m0/s1
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n/an/an/a 1.42E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527814
PNG
(CHEMBL4471310)
Show SMILES CC[C@H](C)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)c2)C(N)=O |r|
Show InChI InChI=1S/C50H83N11O12S2/c1-9-28(6)40(42(53)65)60-48(71)37(20-27(4)5)57-45(68)34(15-10-11-18-51)55-46(69)35(16-17-39(63)64)56-49(72)38-25-75-23-32-14-12-13-31(21-32)22-74-24-33(52)44(67)54-29(7)43(66)61-41(30(8)62)50(73)58-36(19-26(2)3)47(70)59-38/h12-14,21,26-30,33-38,40-41,62H,9-11,15-20,22-25,51-52H2,1-8H3,(H2,53,65)(H,54,67)(H,55,69)(H,56,72)(H,57,68)(H,58,73)(H,59,70)(H,60,71)(H,61,66)(H,63,64)/t28-,29-,30+,33-,34-,35-,36-,37-,38-,40?,41-/m0/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527813
PNG
(CHEMBL4456560)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c2)C(N)=O |r|
Show InChI InChI=1S/C48H83N11O9S2/c1-8-29(6)39(41(52)61)58-46(66)37(21-28(4)5)55-43(63)34(16-9-11-18-49)54-47(67)38-26-70-24-32-15-13-14-31(22-32)23-69-25-33(51)42(62)59-40(30(7)60)48(68)56-36(20-27(2)3)45(65)53-35(44(64)57-38)17-10-12-19-50/h13-15,22,27-30,33-40,60H,8-12,16-21,23-26,49-51H2,1-7H3,(H2,52,61)(H,53,65)(H,54,67)(H,55,63)(H,56,68)(H,57,64)(H,58,66)(H,59,62)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/a 6.40E+4n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 9.78E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H T2A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527812
PNG
(CHEMBL4475220)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C40H72N10O13/c1-9-21(6)31(40(62)63)49-38(60)27(17-20(4)5)46-35(57)25(13-14-29(43)52)45-37(59)28(18-30(53)54)47-34(56)24(12-10-11-15-41)44-36(58)26(16-19(2)3)48-39(61)32(23(8)51)50-33(55)22(7)42/h19-28,31-32,51H,9-18,41-42H2,1-8H3,(H2,43,52)(H,44,58)(H,45,59)(H,46,57)(H,47,56)(H,48,61)(H,49,60)(H,50,55)(H,53,54)(H,62,63)/t21-,22-,23+,24-,25-,26-,27-,28-,31-,32-/m0/s1
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n/an/an/a 1.49E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) in sodium phosphate buffer at pH 7.6 b...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527805
PNG
(CHEMBL4440124)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C42H79N11O11/c1-9-24(6)33(35(46)57)52-41(63)31(21-23(4)5)50-38(60)28(15-11-13-19-44)47-39(61)29(16-17-32(55)56)49-37(59)27(14-10-12-18-43)48-40(62)30(20-22(2)3)51-42(64)34(26(8)54)53-36(58)25(7)45/h22-31,33-34,54H,9-21,43-45H2,1-8H3,(H2,46,57)(H,47,61)(H,48,62)(H,49,59)(H,50,60)(H,51,64)(H,52,63)(H,53,58)(H,55,56)/t24-,25-,26+,27-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/an/a 1.02E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) in sodium phosphate buffer at pH 7.6 b...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527803
PNG
(CHEMBL4557180)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r|
Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/an/a 3.80E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant full length human His-tagged LDH-1 (1 to 322 residues) expressed in Escherichia coli assessed as protein-...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527811
PNG
(CHEMBL4450669)
Show SMILES [H][C@]1(NC(=O)[C@H](C)NC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)[C@@H](C)O |r|
Show InChI InChI=1S/C42H77N11O10/c1-9-24(6)33(35(45)56)52-41(62)31(21-23(4)5)50-38(59)28(15-11-13-19-44)47-39(60)29-16-17-32(55)46-25(7)36(57)53-34(26(8)54)42(63)51-30(20-22(2)3)40(61)48-27(37(58)49-29)14-10-12-18-43/h22-31,33-34,54H,9-21,43-44H2,1-8H3,(H2,45,56)(H,46,55)(H,47,60)(H,48,61)(H,49,58)(H,50,59)(H,51,63)(H,52,62)(H,53,57)/t24-,25-,26+,27-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/an/a 4.65E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527810
PNG
(CHEMBL4532326)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2ccc(CSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)cc2)C(N)=O |r|
Show InChI InChI=1S/C48H83N11O9S2/c1-8-29(6)39(41(52)61)58-46(66)37(22-28(4)5)55-43(63)34(13-9-11-19-49)54-47(67)38-26-70-24-32-17-15-31(16-18-32)23-69-25-33(51)42(62)59-40(30(7)60)48(68)56-36(21-27(2)3)45(65)53-35(44(64)57-38)14-10-12-20-50/h15-18,27-30,33-40,60H,8-14,19-26,49-51H2,1-7H3,(H2,52,61)(H,53,65)(H,54,67)(H,55,63)(H,56,68)(H,57,64)(H,58,66)(H,59,62)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/a 1.13E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527809
PNG
(CHEMBL4456178)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2ccccc2CSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O |r|
Show InChI InChI=1S/C48H83N11O9S2/c1-8-29(6)39(41(52)61)58-46(66)37(22-28(4)5)55-43(63)34(17-11-13-19-49)54-47(67)38-26-70-24-32-16-10-9-15-31(32)23-69-25-33(51)42(62)59-40(30(7)60)48(68)56-36(21-27(2)3)45(65)53-35(44(64)57-38)18-12-14-20-50/h9-10,15-16,27-30,33-40,60H,8,11-14,17-26,49-51H2,1-7H3,(H2,52,61)(H,53,65)(H,54,67)(H,55,63)(H,56,68)(H,57,64)(H,58,66)(H,59,62)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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n/an/an/a 2.50E+4n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527808
PNG
(CHEMBL4582140)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(N)=O)c2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C51H88N12O10S2/c1-9-30(6)41-50(72)60-39(43(55)65)26-74-24-33-15-14-16-34(23-33)25-75-27-40(49(71)57-35(17-10-12-19-52)45(67)58-38(22-29(4)5)48(70)62-41)61-46(68)36(18-11-13-20-53)56-47(69)37(21-28(2)3)59-51(73)42(32(8)64)63-44(66)31(7)54/h14-16,23,28-32,35-42,64H,9-13,17-22,24-27,52-54H2,1-8H3,(H2,55,65)(H,56,69)(H,57,71)(H,58,67)(H,59,73)(H,60,72)(H,61,68)(H,62,70)(H,63,66)/t30-,31-,32+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/a 3.98E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527807
PNG
(CHEMBL4525659)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)c2)C(N)=O |r|
Show InChI InChI=1S/C46H76N10O10S2/c1-8-27(6)38(39(49)59)56-44(64)34(19-26(4)5)53-46(66)36-24-68-22-30-13-11-12-29(20-30)21-67-23-35(54-40(60)28(7)48)45(65)52-33(18-25(2)3)43(63)50-31(14-9-10-17-47)41(61)51-32(42(62)55-36)15-16-37(57)58/h11-13,20,25-28,31-36,38H,8-10,14-19,21-24,47-48H2,1-7H3,(H2,49,59)(H,50,63)(H,51,61)(H,52,65)(H,53,66)(H,54,60)(H,55,62)(H,56,64)(H,57,58)/t27-,28-,31-,32-,33-,34-,35-,36-,38-/m0/s1
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n/an/an/a 7.87E+5n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527806
PNG
(CHEMBL4437918)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c2)C(N)=O |r|
Show InChI InChI=1S/C51H88N12O10S2/c1-9-30(6)41(43(55)65)62-48(70)38(22-29(4)5)58-45(67)35(17-10-12-19-52)57-49(71)39-26-74-24-33-15-14-16-34(23-33)25-75-27-40(60-44(66)31(7)54)50(72)63-42(32(8)64)51(73)59-37(21-28(2)3)47(69)56-36(46(68)61-39)18-11-13-20-53/h14-16,23,28-32,35-42,64H,9-13,17-22,24-27,52-54H2,1-8H3,(H2,55,65)(H,56,69)(H,57,71)(H,58,67)(H,59,73)(H,60,66)(H,61,68)(H,62,70)(H,63,72)/t30-,31-,32+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/a 6.70E+4n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527805
PNG
(CHEMBL4440124)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C42H79N11O11/c1-9-24(6)33(35(46)57)52-41(63)31(21-23(4)5)50-38(60)28(15-11-13-19-44)47-39(61)29(16-17-32(55)56)49-37(59)27(14-10-12-18-43)48-40(62)30(20-22(2)3)51-42(64)34(26(8)54)53-36(58)25(7)45/h22-31,33-34,54H,9-21,43-45H2,1-8H3,(H2,46,57)(H,47,61)(H,48,62)(H,49,59)(H,50,60)(H,51,64)(H,52,63)(H,53,58)(H,55,56)/t24-,25-,26+,27-,28-,29-,30-,31-,33-,34-/m0/s1
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n/an/an/a 1.05E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 9.54E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H K6A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 1.01E+9n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H E5A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527804
PNG
(CHEMBL4453053)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C90H154N22O29/c1-17-46(10)69(108-83(134)60(41-43(4)5)104-78(129)54(25-19-21-37-92)99-80(131)57(30-34-65(119)120)102-77(128)53(24-18-20-36-91)100-82(133)59(40-42(2)3)105-87(138)70(51(15)113)109-73(124)47(11)93)86(137)97-50(14)89(140)112-39-23-27-62(112)84(135)106-67(44(6)7)85(136)96-48(12)74(125)98-56(29-33-64(117)118)79(130)103-58(31-35-66(121)122)81(132)101-55(28-32-63(115)116)76(127)95-49(13)75(126)110-71(52(16)114)88(139)107-68(45(8)9)90(141)111-38-22-26-61(111)72(94)123/h42-62,67-71,113-114H,17-41,91-93H2,1-16H3,(H2,94,123)(H,95,127)(H,96,136)(H,97,137)(H,98,125)(H,99,131)(H,100,133)(H,101,132)(H,102,128)(H,103,130)(H,104,129)(H,105,138)(H,106,135)(H,107,139)(H,108,134)(H,109,124)(H,110,126)(H,115,116)(H,117,118)(H,119,120)(H,121,122)/t46-,47-,48-,49-,50-,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-,70-,71-/m0/s1
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n/an/an/a 1.78E+6n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) measured after 5 mins by Red-NHS fluor...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 9.91E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H K4A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50527803
PNG
(CHEMBL4557180)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r|
Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
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n/an/an/an/a 6.24E+8n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity full length human N-terminal His6-tagged LDH-H L3A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disrupt...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50527803
PNG
(CHEMBL4557180)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSc2c(F)c(F)c(SC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)c(F)c2F)C(N)=O |r|
Show InChI InChI=1S/C46H75F4N11O9S2/c1-8-23(6)35(39(54)63)60-44(68)29(18-22(4)5)57-41(65)26(13-9-11-15-51)56-45(69)30-20-72-38-33(49)31(47)37(32(48)34(38)50)71-19-25(53)40(64)61-36(24(7)62)46(70)58-28(17-21(2)3)43(67)55-27(42(66)59-30)14-10-12-16-52/h21-30,35-36,62H,8-20,51-53H2,1-7H3,(H2,54,63)(H,55,67)(H,56,69)(H,57,65)(H,58,70)(H,59,66)(H,60,68)(H,61,64)/t23-,24+,25-,26-,27-,28-,29-,30-,35-,36-/m0/s1
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n/an/an/an/a 1.72E+5n/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His6-tagged human LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as induction of protein disruption ...


J Med Chem 63: 4628-4643 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01955
BindingDB Entry DOI: 10.7270/Q2TB1BCZ
More data for this
Ligand-Target Pair