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PDB code 4RLS

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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)

  (331/331 = 100%)
(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
MMDB

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PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lactate dehydrogenase A (LDHA)

  (331/331 = 100%)
(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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output