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SMILES: Clc1cccc(COc2coc(CN3CCN(CC3)C(=O)c3ccco3)cc2=O)c1

InChI Key: InChIKey=YGESQSKWCSTJGS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524659   
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
L-lactate dehydrogenase A chain


(Homo sapiens (Human))		BDBM50524659
PNG
(CHEMBL1436155)
Show SMILES Clc1cccc(COc2coc(CN3CCN(CC3)C(=O)c3ccco3)cc2=O)c1
Show InChI InChI=1S/C22H21ClN2O5/c23-17-4-1-3-16(11-17)14-30-21-15-29-18(12-19(21)26)13-24-6-8-25(9-7-24)22(27)20-5-2-10-28-20/h1-5,10-12,15H,6-9,13-14H2
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n/an/an/an/a 270n/an/an/an/a



Hubei University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...

Eur J Med Chem 177: 105-115 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.033
More data for this
Ligand-Target Pair