BindingDB logo
myBDB logout

null

SMILES: CC1CCC(CC1)c1nc(C)cc(OCC(=O)Nc2ccc(cc2)C(C)=O)n1

InChI Key: InChIKey=XUGWOTBXQJOXIH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524655   
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))		BDBM50524655
PNG
(CHEMBL4450110)
Show SMILES CC1CCC(CC1)c1nc(C)cc(OCC(=O)Nc2ccc(cc2)C(C)=O)n1 |(42.44,-36.62,;41.1,-35.85,;39.77,-36.61,;38.44,-35.85,;38.44,-34.31,;39.76,-33.53,;41.1,-34.3,;37.1,-33.55,;37.1,-32.01,;35.75,-31.24,;35.74,-29.7,;34.43,-32.02,;34.44,-33.55,;33.11,-34.32,;33.12,-35.86,;31.79,-36.64,;31.79,-38.18,;30.45,-35.87,;29.12,-36.65,;29.13,-38.2,;27.79,-38.97,;26.46,-38.2,;26.46,-36.66,;27.79,-35.89,;25.12,-38.97,;25.12,-40.51,;23.79,-38.2,;35.77,-34.32,)|
Show InChI InChI=1S/C22H27N3O3/c1-14-4-6-18(7-5-14)22-23-15(2)12-21(25-22)28-13-20(27)24-19-10-8-17(9-11-19)16(3)26/h8-12,14,18H,4-7,13H2,1-3H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.20E+3n/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