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BDBM50089933 CHEMBL3581195

SMILES: CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1

InChI Key: InChIKey=NPCMYHUPTHBMBY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089933   
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))
BDBM50089933
PNG
(CHEMBL3581195)
Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H19Cl3O4S/c1-2-29-20(28)9-12-6-7-14(23)19(8-12)30-22-17(26)10-13(11-18(22)27)21-15(24)4-3-5-16(21)25/h3-8,13,26H,2,9-11H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human LDH-A by biochemical assay


Bioorg Med Chem Lett 25: 75-82 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC
More data for this
Ligand-Target Pair