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5 similar compounds to monomer 50052300

Compile data set for download or QSAR
Wt: 312.3
BDBM50052301
Wt: 326.4
BDBM50052304
Wt: 328.3
BDBM50052305
Wt: 286.3
BDBM50052290
Wt: 328.3
BDBM50052307

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50052301,50052304,50052305,50052290,50052307   
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))
BDBM50052290
PNG
(CHEMBL3318522)
Show SMILES OC1=C(Sc2ncc[nH]2)C(=O)CC(C1)c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c18-12-8-11(10-4-2-1-3-5-10)9-13(19)14(12)20-15-16-6-7-17-15/h1-7,11,18H,8-9H2,(H,16,17)
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Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052301
PNG
(CHEMBL3318528)
Show SMILES Cc1ccnc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C17H16N2O2S/c1-11-7-8-18-17(19-11)22-16-14(20)9-13(10-15(16)21)12-5-3-2-4-6-12/h2-8,13,20H,9-10H2,1H3
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052307
PNG
(CHEMBL3318532)
Show SMILES Nc1cc(N)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C16H16N4O2S/c17-13-8-14(18)20-16(19-13)23-15-11(21)6-10(7-12(15)22)9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H4,17,18,19,20)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052305
PNG
(CHEMBL3318530)
Show SMILES Cc1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1O
Show InChI InChI=1S/C17H16N2O3S/c1-10-9-18-17(19-16(10)22)23-15-13(20)7-12(8-14(15)21)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8H2,1H3,(H,18,19,22)
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair
Lactate dehydrogenase A (LDHA)


(Homo sapiens (Human))
BDBM50052304
PNG
(CHEMBL3318529)
Show SMILES Cc1cc(C)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1
Show InChI InChI=1S/C18H18N2O2S/c1-11-8-12(2)20-18(19-11)23-17-15(21)9-14(10-16(17)22)13-6-4-3-5-7-13/h3-8,14,21H,9-10H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


Bioorg Med Chem Lett 24: 3764-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.076
BindingDB Entry DOI: 10.7270/Q2445P46
More data for this
Ligand-Target Pair