Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50438729

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_976373 (CHEMBL2415509)

IC50

68±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

BDBM50438729

n/a

Name

BDBM50438729

Synonyms:

CHEMBL2414651

Type

Small organic molecule

Emp. Form.

C26H35N5O4

Mol. Mass.

481.5872

SMILES

CC(C)[C@H](CO)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:3.5,13.16,wD:10.9,(35.51,-41.58,;36.49,-40.39,;38.01,-40.66,;35.96,-38.95,;36.95,-37.77,;38.47,-38.03,;34.45,-38.69,;33.46,-39.89,;34,-41.32,;31.94,-39.63,;30.96,-40.82,;29.46,-40.6,;28.48,-41.77,;29.01,-43.2,;30.52,-43.46,;31.49,-42.28,;28.02,-44.41,;28.56,-45.87,;27.59,-47.05,;26.09,-46.8,;25.56,-45.37,;26.53,-44.19,;25.09,-48,;25.76,-49.42,;25.08,-50.8,;23.56,-51.13,;22.37,-50.14,;21.03,-50.91,;19.69,-50.13,;19.71,-48.57,;21.05,-47.82,;21.07,-46.28,;22.38,-48.61,;23.6,-47.66,;23.28,-46.14,)|

Structure