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BDBM50089951 CHEMBL3581177

SMILES: CC(=O)N1CCN(CC1)c1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl

InChI Key: InChIKey=JYJFPSZYWNDGEC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089951   
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))
BDBM50089951
PNG
(CHEMBL3581177)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:19|
Show InChI InChI=1S/C24H23Cl3N2O3S/c1-14(30)28-8-10-29(11-9-28)18-7-6-17(26)22(23(18)27)15-12-19(31)24(20(32)13-15)33-21-5-3-2-4-16(21)25/h2-7,15,31H,8-13H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 100n/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