Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223525
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:
BDBM223525
Synonyms:
US9321728, 93
Type:
Small organic molecule
Emp. Form.:
C32H36N2O4
Mol. Mass.:
512.6392
SMILES:
CCc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:31.34,$;;;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;$,(-13.75,6.57,;-13.75,5.03,;-12.41,4.26,;-11.03,5,;-9.7,4.23,;-9.7,2.69,;-11.03,1.92,;-12.36,2.69,;-8.18,1.92,;-6.85,2.69,;-5.52,1.92,;-5.52,.38,;-6.85,-.38,;-8.18,.38,;-4.18,-.38,;-4.18,-1.93,;-2.85,.38,;-1.51,-.38,;-.18,.38,;1.15,-.38,;1.15,-1.93,;2.49,.38,;3.82,-.38,;3.82,-1.93,;5.15,-2.69,;6.49,-1.93,;6.49,-.38,;5.15,.38,;7.82,-2.69,;9.16,-1.93,;10.49,-2.69,;10.49,-4.23,;12,-5,;13.52,-4.23,;15.03,-5,;13.52,-2.69,;9.16,-5,;7.82,-4.23,)|
Structure:
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