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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'rodriguez-rodriguez' and Initial = 'b'   
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))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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700n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB
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900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB
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1.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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1.40E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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1.90E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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2.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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2.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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5.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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6.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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7.90E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB

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PC sid
UniChem
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1.11E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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1.29E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
PDB
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1.82E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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2.47E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594016
PNG
(CHEMBL5204083)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)C(=O)c2ccc(NC(=O)CCCC#C)cc2)o1
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n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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n/an/a 400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594016
PNG
(CHEMBL5204083)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)C(=O)c2ccc(NC(=O)CCCC#C)cc2)o1
PDB
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n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB
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n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594019
PNG
(CHEMBL5170581)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(CC#C)Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)o1
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n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594016
PNG
(CHEMBL5204083)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)C(=O)c2ccc(NC(=O)CCCC#C)cc2)o1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594015
PNG
(CHEMBL5197026)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)o1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594019
PNG
(CHEMBL5170581)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(CC#C)Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)o1
PDB
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594019
PNG
(CHEMBL5170581)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(CC#C)Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)o1
PDB
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594019
PNG
(CHEMBL5170581)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(CC#C)Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)o1
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594020
PNG
(CHEMBL5177237)
Show SMILES CCN(CC)CC.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594016
PNG
(CHEMBL5204083)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)C(=O)c2ccc(NC(=O)CCCC#C)cc2)o1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594021
PNG
(CHEMBL5189842)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCc2ccccc2)o1
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB

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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594021
PNG
(CHEMBL5189842)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCc2ccccc2)o1
PDB
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594014
PNG
(CHEMBL5182027)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(Br)cc2)o1
PDB
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n/an/a 4.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594020
PNG
(CHEMBL5177237)
Show SMILES CCN(CC)CC.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1
PDB
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594015
PNG
(CHEMBL5197026)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)o1
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594015
PNG
(CHEMBL5197026)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)o1
PDB
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594020
PNG
(CHEMBL5177237)
Show SMILES CCN(CC)CC.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1
PDB

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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50594022
PNG
(CHEMBL5205112)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCc2ccc(cc2)[N+]([O-])=O)o1
PDB
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB

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n/an/a 8.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594015
PNG
(CHEMBL5197026)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)o1
PDB
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n/an/a 1.03E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Mus musculus)
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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n/an/a 1.44E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594020
PNG
(CHEMBL5177237)
Show SMILES CCN(CC)CC.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccco2)Cc2ccccc2)o1
PDB
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n/an/a 1.68E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50594017
PNG
(CHEMBL5190607)
Show SMILES N.OC(=O)c1cc(ccc1O)-c1ccc(CNCC#C)o1
PDB
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n/an/a 1.73E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50594018
PNG
(CHEMBL5180187)
Show SMILES N.N.OC(=O)c1cc(ccc1O)-c1ccc(CN(Cc2ccc(o2)-c2ccc(O)c(c2)C(O)=O)Cc2ccccc2)o1
PDB

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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
2-Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50463040
PNG
(CHEMBL4247590)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(C=O)o1
Show InChI InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
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n/an/a 2.82E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114396
BindingDB Entry DOI: 10.7270/Q2W38196
More data for this
Ligand-Target Pair
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