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5 similar compounds to monomer 50144748

Compile data set for download or QSAR
Wt: 341.8
BDBM50144741
Wt: 350.4
BDBM50144743
Wt: 483.3
BDBM50144746
Wt: 598.6
BDBM50144745
Wt: 276.1
BDBM50144747

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50144741,50144743,50144746,50144745,50144747   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50144743
PNG
(CHEMBL3764196)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccccc1C
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-8-6-5-7-12(14)3)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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5.46E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 meaured for 3 mins in presence of pyruvate by fluorescence analysis


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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1.51E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 meaured for 3 mins in presence of pyruvate by fluorescence analysis


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144746
PNG
(CHEMBL3764862)
Show SMILES OC[C@H]1O[C@@H](On2c(cc3c(cc(cc23)-c2ccccc2)C(F)(F)F)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C22H20F3NO8/c23-22(24,25)13-6-11(10-4-2-1-3-5-10)7-14-12(13)8-15(20(31)32)26(14)34-21-19(30)18(29)17(28)16(9-27)33-21/h1-8,16-19,21,27-30H,9H2,(H,31,32)/t16-,17-,18+,19-,21+/m1/s1
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1.95E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 incubated for 15 mins in presence of NADH by fluorescence analysis


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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2.32E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 meaured for 3 mins in presence of NADH by fluorescence analysis


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144747
PNG
(CHEMBL3763517)
Show SMILES Oc1cc2C(=O)Cc3cc(O)c(=O)oc3-c2c(O)c1O
Show InChI InChI=1S/C13H8O7/c14-6-1-4-2-8(16)13(19)20-12(4)9-5(6)3-7(15)10(17)11(9)18/h2-3,15-18H,1H2
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5.60E+4n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 meaured for 3 mins in presence of NADH by fluorescence analysis


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
Lactate dehydrogenase B (LDHB)


(Homo sapiens (Human))
BDBM50144743
PNG
(CHEMBL3764196)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1ccccc1C
Show InChI InChI=1S/C22H22O4/c1-11(2)18-16-9-13(4)15(14-8-6-5-7-12(14)3)10-17(16)19(22(25)26)21(24)20(18)23/h5-11,23-24H,1-4H3,(H,25,26)
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>1.25E+5n/an/an/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH1 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50144741
PNG
(CHEMBL3760112)
Show SMILES [Cl-].CCCC[n+]1cn(Cn2nnc3ccccc23)c2ccccc12
Show InChI InChI=1S/C18H20N5.ClH/c1-2-3-12-21-13-22(18-11-7-6-10-17(18)21)14-23-16-9-5-4-8-15(16)19-20-23;/h4-11,13H,2-3,12,14H2,1H3;1H/q+1;/p-1
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n/an/a 3.33E+6n/an/an/an/an/an/a



In£n£ University

Curated by ChEMBL


Assay Description
Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 1392-401 (2016)


Article DOI: 10.1016/j.bmc.2016.02.012
BindingDB Entry DOI: 10.7270/Q2FT8NWG
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50144745
PNG
(CHEMBL1910169)
Show SMILES OC(=O)CCCc1ccc(cc1)-n1cc(CCCn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)nn1
Show InChI InChI=1S/C35H30N6O4/c42-31(43)13-5-7-22-14-16-24(17-15-22)41-20-23(38-39-41)8-6-18-40-21-28(26-10-2-4-12-30(26)40)33-32(34(44)37-35(33)45)27-19-36-29-11-3-1-9-25(27)29/h1-4,9-12,14-17,19-21,36H,5-8,13,18H2,(H,42,43)(H,37,44,45)
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n/an/a 1.48E+4n/an/an/an/an/an/a



National Cancer Institute-CRO

Curated by ChEMBL


Assay Description
Competitive inhibition of human LDH5 in presence of NADH


J Med Chem 59: 487-96 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00168
BindingDB Entry DOI: 10.7270/Q2B27X41
More data for this
Ligand-Target Pair