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BDBM86136 LDHA Inhibitor, 32

SMILES: CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1

InChI Key: InChIKey=OVKDDZVXJKGLNM-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 = 86136   
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))
BDBM86136
PNG
(LDHA Inhibitor, 32)
Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1
Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/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))
BDBM86136
PNG
(LDHA Inhibitor, 32)
Show SMILES CCCSc1nc2ccc(NC(=O)CCNC(=O)NCCc3ccc(OC(C(O)=O)C(O)=O)cc3)cc2s1
Show InChI InChI=1S/C25H28N4O7S2/c1-2-13-37-25-29-18-8-5-16(14-19(18)38-25)28-20(30)10-12-27-24(35)26-11-9-15-3-6-17(7-4-15)36-21(22(31)32)23(33)34/h3-8,14,21H,2,9-13H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,26,27,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 180n/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