Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50031502

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1438588 (CHEMBL3386693)

IC50

8.0±n/a nM

Citation

He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Discovery of a Potent and Selective DGAT1 Inhibitor with a Piperidinyl-oxy-cyclohexanecarboxylic Acid Moiety. ACS Med Chem Lett5:1082-7 (2014) [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

BDBM50031502

n/a

Name

BDBM50031502

Synonyms:

CHEMBL3342774

Type

Small organic molecule

Emp. Form.

C25H27F3N4O3

Mol. Mass.

488.5021

SMILES

OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r,wU:6.9,3.2,(22.37,-7.8,;22.37,-6.26,;23.71,-5.5,;21.04,-5.48,;21.04,-3.94,;19.71,-3.16,;18.38,-3.93,;18.37,-5.48,;19.7,-6.25,;17.05,-3.16,;15.71,-3.93,;15.71,-5.47,;14.38,-6.24,;13.05,-5.47,;13.04,-3.93,;14.38,-3.16,;11.71,-6.24,;10.38,-5.47,;9.05,-6.25,;9.05,-7.79,;10.38,-8.56,;11.72,-7.79,;7.71,-8.55,;6.31,-7.93,;5.28,-9.07,;3.75,-9.07,;2.98,-10.4,;3.76,-11.73,;5.28,-11.73,;6.05,-10.4,;7.55,-10.08,;1.44,-10.4,;.67,-9.07,;.67,-11.74,;-.1,-10.4,)|

Structure