Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223504
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<100±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:
BDBM223504
Synonyms:
US9321728, 27
Type:
Small organic molecule
Emp. Form.:
C28H27BrF3N3O5
Mol. Mass.:
622.43
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Br)cc2)cc1 |r,wD:4.3,(12.93,2.21,;12.93,3.75,;14.27,4.52,;11.6,4.52,;10.27,3.75,;8.93,4.52,;7.6,3.75,;7.6,2.21,;8.93,1.44,;10.27,2.21,;6.27,1.44,;4.93,2.21,;3.6,1.44,;3.6,-.1,;2.26,-.87,;.93,-.1,;.93,1.44,;-.4,-.87,;-1.74,-.1,;-3.07,-.87,;-4.4,-.1,;-4.4,1.44,;-5.74,-.87,;-7.2,-.4,;-8.11,-1.64,;-7.2,-2.89,;-5.65,-2.43,;-4.39,-3.32,;-3.13,-4.21,;-5.27,-4.58,;-3.5,-2.06,;-9.65,-1.64,;-10.42,-.31,;-11.96,-.31,;-12.73,-1.64,;-14.27,-1.64,;-11.96,-2.98,;-10.42,-2.98,;4.93,-.87,;6.27,-.1,)|
Structure:
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