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SMILES: O=C(N1CCN(Cc2cc(=O)c(OCc3ccccc3)co2)CC1)c1ccco1

InChI Key: InChIKey=BKXOEWJWKLBFJH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524666   
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))		BDBM50524666
PNG
(CHEMBL1440413)
Show SMILES O=C(N1CCN(Cc2cc(=O)c(OCc3ccccc3)co2)CC1)c1ccco1
Show InChI InChI=1S/C22H22N2O5/c25-19-13-18(28-16-21(19)29-15-17-5-2-1-3-6-17)14-23-8-10-24(11-9-23)22(26)20-7-4-12-27-20/h1-7,12-13,16H,8-11,14-15H2
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n/an/an/an/a 680n/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