Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223506
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<500±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:
BDBM223506
Synonyms:
US9321728, 33
Type:
Small organic molecule
Emp. Form.:
C28H31N3O4S
Mol. Mass.:
505.628
SMILES:
Cc1nc(sc1C(=O)NCCC(=O)Nc1ccc(cc1)C1CC[C@H](CC(O)=O)CC1)-c1ccccc1 |r,wD:23.25,$;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;;$,(-5.25,3.85,;-6.59,3.08,;-8.05,3.56,;-8.96,2.31,;-8.05,1.06,;-6.59,1.54,;-5.25,.77,;-5.25,-.77,;-3.92,1.54,;-2.59,.77,;-1.25,1.54,;.08,.77,;.08,-.77,;1.42,1.54,;2.75,.77,;2.75,-.77,;4.08,-1.54,;5.42,-.77,;5.42,.77,;4.08,1.54,;6.75,-1.54,;8.08,-.77,;9.42,-1.54,;9.42,-3.08,;10.75,-3.85,;12.09,-3.08,;13.42,-3.85,;12.09,-1.54,;8.08,-3.85,;6.75,-3.08,;-10.44,1.91,;-11.53,3,;-13.02,2.6,;-13.42,1.11,;-12.33,.03,;-10.84,.42,)|
Structure:
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