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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lactate dehydrogenase A (LDHA)' and Ligand = 'BDBM50040094'   
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
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
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
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))
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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