Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase B chain
Ligand
BDBM50052249
Substrate
n/a
Meas. Tech.
ChEMBL_1456606 (CHEMBL3369988)
IC50
11000±n/a nM
Citation
 Dragovich, PS; Fauber, BP; Boggs, J; Chen, J; Corson, LB; Ding, CZ; Eigenbrot, C; Ge, H; Giannetti, AM; Hunsaker, T; Labadie, S; Li, C; Liu, Y; Liu, Y; Ma, S; Malek, S; Peterson, D; Pitts, KE; Purkey, HE; Robarge, K; Salphati, L; Sideris, S; Ultsch, M; VanderPorten, E; Wang, J; Wei, B; Xu, Q; Yen, I; Yue, Q; Zhang, H; Zhang, X; Zhou, A Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg Med Chem Lett 24:3764-71 (2014) [PubMed]  Article 
Target
Name:
L-lactate dehydrogenase B chain
Synonyms:
L-lactate dehydrogenase B | L-lactate dehydrogenase B chain | LDH heart subunit | LDH-B | LDH-H | LDHB | LDHB_HUMAN | Lactate dehydrogenase B (LDHB) | Renal carcinoma antigen NY-REN-46
Type:
Oxidoreductase; homotetramer
Mol. Mass.:
36635.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
334
Sequence:
MATLKEKLIAPVAEEEATVPNNKITVVGVGQVGMACAISILGKSLADELALVDVLEDKLKGEMMDLQHGSLFLQTPKIVADKDYSVTANSKIVVVTAGVRQQEGESRLNLVQRNVNVFKFIIPQIVKYSPDCIIIVVSNPVDILTYVTWKLSGLPKHRVIGSGCNLDSARFRYLMAEKLGIHPSSCHGWILGEHGDSSVAVWSGVNVAGVSLQELNPEMGTDNDSENWKEVHKMVVESAYEVIKLKGYTNWAIGLSVADLIESMLKNLSRIHPVSTMVKGMYGIENEVFLSLPCILNARGLTSVINQKLKDDEVAQLKKSADTLWDIQKDLKDL
  
Inhibitor
Name:
BDBM50052249
Synonyms:
CHEMBL3318423
Type:
Small organic molecule
Emp. Form.:
C19H15NO2S
Mol. Mass.:
321.393
SMILES:
OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1|
Structure:
Search PDB for entries with ligand similarity: