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BDBM86120 LDHA Inhibitor, 15

SMILES: CC(=O)Nc1ccc2nc(C)sc2c1

InChI Key: InChIKey=XLYNOVXELOHZDY-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 86120   
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


(Rattus norvegicus (Rat))
BDBM86120
PNG
(LDHA Inhibitor, 15)
Show SMILES CC(=O)Nc1ccc2nc(C)sc2c1
Show InChI InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+5n/an/an/an/a7.521



AstraZeneca



Assay Description
Enzyme assay using lactate dehydrogenase A (LDHA).


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A


(Rattus norvegicus (Rat))
BDBM86120
PNG
(LDHA Inhibitor, 15)
Show SMILES CC(=O)Nc1ccc2nc(C)sc2c1
Show InChI InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 7.90E+5n/an/an/a7.5n/a



AstraZeneca



Assay Description
A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format.


J Med Chem 55: 3285-306 (2012)


Article DOI: 10.1021/jm201734r
BindingDB Entry DOI: 10.7270/Q21J9896
More data for this
Ligand-Target Pair