Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223496
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<50±n/a nM
Citation
 Ahn, JH; Pagire, HS; Rhee, SD; Kim, KY; Jung, WH; Bae, M; Song, JS; Kim, K; Kwak, HJ Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient US Patent  US9321728 Publication Date 4/26/2016 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Homo sapiens (Human)
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM223496
Synonyms:
US9321728, 4
Type:
Small organic molecule
Emp. Form.:
C26H32N2O5
Mol. Mass.:
452.5427
SMILES:
CCOc1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:26.28,(-13.34,-3.85,;-12,-3.08,;-10.67,-3.85,;-9.34,-3.08,;-9.34,-1.54,;-8,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-3.85,;-5.33,-.77,;-5.33,.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.67,.77,;6.67,1.54,;6.67,3.08,;8,3.85,;9.34,3.08,;10.67,3.85,;12,3.08,;13.34,3.85,;12,1.54,;9.34,1.54,;8,.77,)|
Structure:
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