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5 similar compounds to monomer 50040095

Compile data set for download or QSAR
Wt: 372.8
BDBM50040092
Wt: 437.7
BDBM50040094
Wt: 360.8
BDBM50040042
Wt: 372.8
BDBM50040084
Wt: 358.8
BDBM50040093

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50040092,50040094,50040042,50040084,50040093   
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
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040042
PNG
(CHEMBL3358874)
Show SMILES Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1
Show InChI InChI=1S/C19H17ClO3S/c1-11-6-5-7-12(2)17(11)15-10-14(21)18(19(22)23-15)24-16-9-4-3-8-13(16)20/h3-9,15,21H,10H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040084
PNG
(CHEMBL3359430)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(C1CC1)c1ccccc1
Show InChI InChI=1S/C20H17ClO3S/c21-15-8-4-5-9-17(15)25-18-16(22)12-20(14-10-11-14,24-19(18)23)13-6-2-1-3-7-13/h1-9,14,22H,10-12H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1
Show InChI InChI=1S/C20H17ClO3S/c21-15-9-3-4-10-17(15)25-18-16(22)12-20(24-19(18)23)11-5-7-13-6-1-2-8-14(13)20/h1-4,6,8-10,22H,5,7,11-12H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040094
PNG
(CHEMBL3359439)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1
Show InChI InChI=1S/C19H14BrClO3S/c20-13-5-3-4-12-11(13)8-9-19(12)10-15(22)17(18(23)24-19)25-16-7-2-1-6-14(16)21/h1-7,22H,8-10H2
PDB
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n/an/a 2.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040093
PNG
(CHEMBL3359438)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1
Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2
PDB
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n/an/a 360n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040093
PNG
(CHEMBL3359438)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1
Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2
PDB
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n/an/a 2.60E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040094
PNG
(CHEMBL3359439)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1
Show InChI InChI=1S/C19H14BrClO3S/c20-13-5-3-4-12-11(13)8-9-19(12)10-15(22)17(18(23)24-19)25-16-7-2-1-6-14(16)21/h1-7,22H,8-10H2
PDB
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n/an/a 350n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1
Show InChI InChI=1S/C20H17ClO3S/c21-15-9-3-4-10-17(15)25-18-16(22)12-20(24-19(18)23)11-5-7-13-6-1-2-8-14(13)20/h1-4,6,8-10,22H,5,7,11-12H2
PDB
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Reactome pathway
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Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 24: 5683-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.067
BindingDB Entry DOI: 10.7270/Q23J3FK6
More data for this
Ligand-Target Pair