Ki Summary

Reaction Details

Report a problem with these data

Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50502593

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1808007 (CHEMBL4307366)

EC50

8.0±n/a nM

Citation

Harrison, TJ; Bauer, D; Berdichevsky, A; Chen, X; Duvadie, R; Hoogheem, B; Hatsis, P; Liu, Q; Mao, J; Miduturu, V; Rocheford, E; Zecri, F; Zessis, R; Zheng, R; Zhu, Q; Streeper, R; Patel, SJ Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett10:1128-1133 (2019) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Diacylglycerol O-acyltransferase 1

Name:

Diacylglycerol O-acyltransferase 1

Synonyms:

Type:

Enzyme

Mol. Mass.:

56810.61

Organism:

Mus musculus (mouse)

Description:

In this assay, recombinant mouse DGAT-1 containing an N-terminal His6-epitope tag was produced in the baculovirus expression system.

Residue:

498

Sequence:

MGDRGGAGSSRRRRTGSRVSVQGGSGPKVEEDEVRDAAVSPDLGAGGDAPAPAPAPAHTR
DKDGRTSVGDGYWDLRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKY
GILVDPIQVVSLFLKDPYSWPAPCVIIASNIFVVAAFQIEKRLAVGALTEQMGLLLHVVN
LATIICFPAAVALLVESITPVGSVFALASYSIMFLKLYSYRDVNLWCRQRRVKAKAVSTG
KKVSGAAAQQAVSYPDNLTYRDLYYFIFAPTLCYELNFPRSPRIRKRFLLRRVLEMLFFT
QLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWFFHSCLNAV
AELLQFGDREFYRDWWNAESVTYFWQNWNIPVHKWCIRHFYKPMLRHGSSKWVARTGVFL
TSAFFHEYLVSVPLRMFRLWAFTAMMAQVPLAWIVGRFFQGNYGNAAVWVTLIIGQPVAV
LMYVHDYYVLNYDAPVGV

BDBM50502593

n/a

Name

BDBM50502593

Synonyms:

CHEMBL4578901

Type

Small organic molecule

Emp. Form.

C26H29N3O4

Mol. Mass.

447.5262

SMILES

CCc1nc(C)c(o1)C(=O)Nc1ccc(nc1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:23.25,wD:26.29,(29.78,-24.78,;31.31,-24.62,;31.93,-23.21,;31.16,-21.88,;32.19,-20.73,;31.87,-19.23,;33.6,-21.35,;33.44,-22.89,;34.93,-20.58,;34.93,-19.04,;36.26,-21.34,;37.6,-20.57,;37.59,-19.04,;38.91,-18.26,;40.26,-19.03,;40.26,-20.57,;38.93,-21.34,;41.58,-18.25,;42.92,-19.02,;44.25,-18.25,;44.24,-16.71,;42.9,-15.94,;41.57,-16.72,;45.57,-15.93,;45.56,-14.4,;46.9,-13.62,;48.23,-14.39,;49.57,-13.62,;50.9,-14.39,;52.24,-13.62,;50.9,-15.93,;48.23,-15.93,;46.91,-16.7,)|

Structure