Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase B chain
Ligand
BDBM50534326
Substrate
n/a
Meas. Tech.
ChEMBL_1928157 (CHEMBL4431229)
IC50
80±n/a nM
Citation
 Purkey, HE; Robarge, K; Chen, J; Chen, Z; Corson, LB; Ding, CZ; DiPasquale, AG; Dragovich, PS; Eigenbrot, C; Evangelista, M; Fauber, BP; Gao, Z; Ge, H; Hitz, A; Ho, Q; Labadie, SS; Lai, KW; Liu, W; Liu, Y; Li, C; Ma, S; Malek, S; O'Brien, T; Pang, J; Peterson, D; Salphati, L; Sideris, S; Ultsch, M; Wei, B; Yen, I; Yue, Q; Zhang, H; Zhou, A Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS Med Chem Lett 7:896-901 (2016) [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:
BDBM50534326
Synonyms:
CHEMBL4543194
Type:
Small organic molecule
Emp. Form.:
C25H21ClN2O4S2
Mol. Mass.:
513.028
SMILES:
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1=O |c:1|
Structure:
Search PDB for entries with ligand similarity: