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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50040092'   
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))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1 |c:1|
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
MMDB

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PC cid
PC sid
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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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50040092
PNG
(CHEMBL3359437)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1 |c:1|
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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