Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50399693
Substrate
n/a
Meas. Tech.
ChEMBL_876789 (CHEMBL2183606)
IC50
520±n/a nM
Citation
 Barlind, JG; Bauer, UA; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Davies, RD; Eriksson, JW; Hammond, CD; Hovland, R; Johannesson, P; Johansson, MJ; Kemmitt, PD; Lindmark, BT; Morentin Gutierrez, P; Noeske, TA; Nordin, A; O'Donnell, CJ; Petersson, AU; Redzic, A; Turnbull, AV; Vinblad, J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem 55:10610-29 (2012) [PubMed]  Article 
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:
BDBM50399693
Synonyms:
CHEMBL2178935
Type:
Small organic molecule
Emp. Form.:
C21H26N4O2
Mol. Mass.:
366.4567
SMILES:
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:17.18,wD:20.22,(3.49,-36.66,;4.82,-35.89,;6.16,-36.66,;7.49,-35.89,;8.83,-36.66,;7.49,-34.35,;6.16,-33.58,;4.82,-34.35,;3.49,-33.58,;2.16,-34.34,;3.49,-32.04,;8.82,-33.59,;10.16,-34.36,;11.49,-33.58,;11.49,-32.03,;10.15,-31.27,;8.82,-32.04,;12.82,-31.26,;12.81,-29.73,;14.15,-28.95,;15.49,-29.72,;16.82,-28.95,;18.15,-29.72,;19.49,-28.95,;18.15,-31.26,;15.48,-31.26,;14.16,-32.03,)|
Structure:
Search PDB for entries with ligand similarity: