Reaction Details Report a problem with these data
Target
Acetyl-CoA acetyltransferase, mitochondrial
Ligand
BDBM50599921
Substrate
n/a
Meas. Tech.
ChEMBL_2232164 (CHEMBL5145936)
IC50
45±n/a nM
Citation
 Koul, S; Kurhade, S; Bhosale, S; Naik, K; Salunkhe, V; Ravula, S; Punde, P; Velayutham, R; Tiwari, A; Ahl, D; Malkapuram, S; Mudagala, V; Raje, A; Umrani, D; Tambe, S; Patil, P; Singh, U; Bhuniya, D; Hariharan, N; Mookhtiar, K Design and synthesis of novel spirocyclic carboxylic acids as potent and orally bioavailable DGAT1 inhibitors and their biological evaluation. Bioorg Med Chem Lett 62:0 (2022) [PubMed] 
Target
Name:
Acetyl-CoA acetyltransferase, mitochondrial
Synonyms:
2.3.1.9 | ACAT | ACAT1 | Acetoacetyl-CoA thiolase | MAT | THIL_HUMAN
Type:
PROTEIN
Mol. Mass.:
45208.64
Organism:
Homo sapiens
Description:
ChEMBL_12700
Residue:
427
Sequence:
MAVLAALLRSGARSRSPLLRRLVQEIRYVERSYVSKPTLKEVVIVSATRTPIGSFLGSLSLLPATKLGSIAIQGAIEKAGIPKEEVKEAYMGNVLQGGEGQAPTRQAVLGAGLPISTPCTTINKVCASGMKAIMMASQSLMCGHQDVMVAGGMESMSNVPYVMNRGSTPYGGVKLEDLIVKDGLTDVYNKIHMGSCAENTAKKLNIARNEQDAYAINSYTRSKAAWEAGKFGNEVIPVTVTVKGQPDVVVKEDEEYKRVDFSKVPKLKTVFQKENGTVTAANASTLNDGAAALVLMTADAAKRLNVTPLARIVAFADAAVEPIDFPIAPVYAASMVLKDVGLKKEDIAMWEVNEAFSLVVLANIKMLEIDPQKVNINGGAVSLGHPIGMSGARIVGHLTHALKQGEYGLASICNGGGGASAMLIQKL
  
Inhibitor
Name:
BDBM50599921
Synonyms:
CHEMBL5203276
Type:
Small organic molecule
Emp. Form.:
C26H28F2N6O4
Mol. Mass.:
526.5351
SMILES:
OC(=O)CC1CCC2(CC1)CCN(CC2)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cn1
Structure:
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