Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50394726

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_859010 (CHEMBL2168632)

IC50

8±n/a nM

Citation

Yeh, VS; Beno, DW; Brodjian, S; Brune, ME; Cullen, SC; Dayton, BD; Dhaon, MK; Falls, HD; Gao, J; Grihalde, N; Hajduk, P; Hansen, TM; Judd, AS; King, AJ; Klix, RC; Larson, KJ; Lau, YY; Marsh, KC; Mittelstadt, SW; Plata, D; Rozema, MJ; Segreti, JA; Stoner, EJ; Voorbach, MJ; Wang, X; Xin, X; Zhao, G; Collins, CA; Cox, BF; Reilly, RM; Kym, PR; Souers, AJ Identification and preliminary characterization of a potent, safe, and orally efficacious inhibitor of acyl-CoA:diacylglycerol acyltransferase 1. J Med Chem55:1751-7 (2012) [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

BDBM50394726

n/a

Name

BDBM50394726

Synonyms:

CHEMBL2165819

Type

Small organic molecule

Emp. Form.

C20H22N4O2

Mol. Mass.

350.4143

SMILES

Nc1c(cnc2ccnn12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.22,wD:16.18,(18.97,-45.21,;18.92,-46.74,;20.23,-47.56,;20.18,-49.09,;18.83,-49.82,;17.52,-49.01,;16.04,-49.44,;15.18,-48.17,;16.11,-46.95,;17.56,-47.47,;21.59,-46.83,;22.9,-47.64,;24.25,-46.91,;24.3,-45.37,;22.99,-44.56,;21.64,-45.29,;25.66,-44.64,;26.97,-45.45,;28.32,-44.72,;28.37,-43.19,;29.73,-42.46,;31.04,-43.26,;30.99,-44.81,;32.39,-42.54,;27.06,-42.37,;25.71,-43.1,)|

Structure