Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50523598

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1890737 (CHEMBL4392491)

IC50

9.5±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 Lett29:1380-1385 (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

BDBM50523598

n/a

Name

BDBM50523598

Synonyms:

CHEMBL4530290

Type

Small organic molecule

Emp. Form.

C25H22F3N5O3

Mol. Mass.

497.4691

SMILES

OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(cnc2[nH]1)C(F)(F)F |r,wD:7.10,4.3,(46.61,-28,;45.84,-26.67,;44.3,-26.66,;46.62,-25.34,;45.85,-24,;46.62,-22.67,;45.85,-21.33,;44.32,-21.34,;43.54,-22.67,;44.31,-23.99,;43.55,-20.01,;42.01,-20.01,;41.23,-18.67,;39.69,-18.68,;38.93,-20.01,;39.7,-21.34,;41.23,-21.34,;37.39,-20.01,;36.61,-18.67,;35.08,-18.67,;34.31,-20,;35.08,-21.34,;36.62,-21.34,;32.78,-20,;31.87,-18.75,;30.4,-19.23,;29.06,-18.46,;27.73,-19.23,;27.73,-20.78,;29.07,-21.55,;30.4,-20.77,;31.87,-21.25,;26.4,-18.47,;26.4,-16.93,;25.07,-19.24,;25.06,-17.69,)|

Structure