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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50523605
Substrate
n/a
Meas. Tech.
ChEMBL_1890736 (CHEMBL4392490)
IC50
5.2±n/a nM
Citation
 Yu, Y; Wu, Z; Shi, ZC; He, S; Lai, Z; Cernak, TA; Vachal, P; Liu, M; Liu, J; Hong, Q; Jian, T; Guiadeen, D; Krikorian, A; Sperbeck, DM; Verras, A; Sonatore, LM; Murphy, BA; Wiltsie, J; Chung, CC; Gorski, JN; Liu, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; De Vita, RJ; Pinto, S; Nargund, RP Accelerating the discovery of DGAT1 inhibitors through the application of parallel medicinal chemistry (PMC). Bioorg Med Chem Lett 29:1380-1385 (2019) [PubMed]  Article 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
Diacylglycerol Acyltransferase (DGAT1) | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | ACAT-related gene product 1 | Diglyceride acyltransferase | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | DGAT1_HUMAN | DGAT1 | AGRP1 | DGAT
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Human
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50523605
Synonyms:
CHEMBL4443023
Type:
Small organic molecule
Emp. Form.:
C25H24N4O3
Mol. Mass.:
428.49
SMILES:
OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccccc2[nH]1 |r,wD:7.10,4.3,(24.54,-28.12,;23.77,-26.78,;22.23,-26.78,;24.54,-25.45,;23.77,-24.12,;24.55,-22.78,;23.78,-21.44,;22.24,-21.46,;21.47,-22.78,;22.23,-24.11,;21.47,-20.12,;19.93,-20.13,;19.15,-18.79,;17.62,-18.79,;16.85,-20.12,;17.62,-21.46,;19.16,-21.46,;15.32,-20.12,;14.54,-18.78,;13,-18.79,;12.24,-20.12,;13,-21.45,;14.54,-21.46,;10.7,-20.12,;9.8,-18.87,;8.32,-19.34,;6.99,-18.58,;5.66,-19.35,;5.66,-20.9,;6.99,-21.67,;8.32,-20.89,;9.79,-21.37,)|
Structure:
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