Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50438712

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_976373 (CHEMBL2415509)

IC50

421±n/a nM

Citation

Dow, RL; Andrews, MP; Li, JC; Michael Gibbs, E; Guzman-Perez, A; Laperle, JL; Li, Q; Mather, D; Munchhof, MJ; Niosi, M; Patel, L; Perreault, C; Tapley, S; Zavadoski, WJ Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor. Bioorg Med Chem21:5081-97 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Diacylglycerol O-acyltransferase 1

Name:

Diacylglycerol O-acyltransferase 1

Synonyms:

Type:

Protein

Mol. Mass.:

55297.82

Organism:

Homo sapiens (Human)

Description:

O75907

Residue:

488

Sequence:

MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVG
SGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQV
VSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPA
AVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHT
VSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWM
VPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREF
YRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVS
VPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLN
YEAPAAEA

BDBM50438712

n/a

Name

BDBM50438712

Synonyms:

CHEMBL2414697

Type

Small organic molecule

Emp. Form.

C24H29N5O5

Mol. Mass.

467.5176

SMILES

CN(CC(O)=O)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:12.15,wD:9.8,(30.02,-40.47,;28.5,-40.16,;28.01,-38.69,;29.03,-37.54,;30.54,-37.84,;28.54,-36.06,;27.48,-41.32,;27.98,-42.8,;25.97,-41.01,;24.93,-42.19,;23.45,-41.92,;22.44,-43.07,;22.92,-44.51,;24.42,-44.82,;25.44,-43.67,;21.88,-45.69,;22.38,-47.18,;21.37,-48.32,;19.87,-48.02,;19.39,-46.57,;20.4,-45.43,;18.83,-49.2,;19.46,-50.64,;18.73,-52,;17.2,-52.28,;16.04,-51.26,;14.67,-51.98,;13.35,-51.15,;13.43,-49.6,;14.79,-48.88,;14.86,-47.34,;16.1,-49.72,;17.35,-48.8,;17.07,-47.28,)|

Structure