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BDBM86127 LDHA Inhibitor, 23

SMILES: CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1

InChI Key: InChIKey=BVTLJYZGVOIQHN-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 = 86127   
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))
BDBM86127
PNG
(LDHA Inhibitor, 23)
Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1
Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM86127
PNG
(LDHA Inhibitor, 23)
Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1
Show InChI InChI=1S/C14H18N4O2S2/c1-2-7-21-14-18-10-4-3-9(8-11(10)22-14)17-12(19)5-6-16-13(15)20/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H3,15,16,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.50E+4n/an/an/a7.4n/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