Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50003713
Substrate
n/a
Meas. Tech.
ChEMBL_1336096 (CHEMBL3240807)
IC50
13±n/a nM
Citation
Fox, BM; Sugimoto, K; Iio, K; Yoshida, A; Zhang, JK; Li, K; Hao, X; Labelle, M; Smith, ML; Rubenstein, SM; Ye, G; McMinn, D; Jackson, S; Choi, R; Shan, B; Ma, J; Miao, S; Matsui, T; Ogawa, N; Suzuki, M; Kobayashi, A; Ozeki, H; Okuma, C; Ishii, Y; Tomimoto, D; Furakawa, N; Tanaka, M; Matsushita, M; Takahashi, M; Inaba, T; Sagawa, S; Kayser, F Discovery of 6-phenylpyrimido[4,5-b][1,4]oxazines as potent and selective acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents. J Med Chem 57:3464-83 (2014) [PubMed] Article
More Info.:
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:
BDBM50003713
Synonyms:
CHEMBL3235323
Type:
Small organic molecule
Emp. Form.:
C25H29N3O3
Mol. Mass.:
419.5161
SMILES:
CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wU:20.22,wD:23.26,c:12,(61.12,-21.75,;59.58,-21.75,;60.35,-23.09,;58.25,-22.53,;56.91,-21.76,;55.58,-22.54,;54.24,-21.77,;54.25,-20.23,;55.57,-19.46,;55.57,-17.92,;56.91,-20.22,;58.24,-19.45,;59.57,-20.21,;60.9,-19.43,;60.88,-17.9,;62.21,-17.12,;63.56,-17.88,;63.57,-19.42,;65.03,-19.88,;65.93,-18.63,;65.01,-17.39,;63.91,-16.31,;64.31,-14.82,;65.79,-14.42,;66.19,-12.93,;67.68,-12.52,;68.77,-13.61,;68.08,-11.03,;66.88,-15.5,;66.49,-16.98,;62.24,-20.2,)|