Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50523594

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1890736 (CHEMBL4392490)

IC50

1.3±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:

Protein

Mol. Mass.:

55297.82

Organism:

Homo sapiens (Human)

Description:

O75907

Residue:

488

Sequence:

MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVG
SGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQV
VSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPA
AVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHT
VSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWM
VPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREF
YRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVS
VPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLN
YEAPAAEA

BDBM50523594

n/a

Name

BDBM50523594

Synonyms:

CHEMBL4453443

Type

Small organic molecule

Emp. Form.

C25H23ClN4O3

Mol. Mass.

462.928

SMILES

OC(=O)C[C@H]1CC[C@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 |r,wD:7.10,4.3,(78.66,-47.58,;77.89,-46.25,;76.35,-46.24,;78.67,-44.91,;77.9,-43.58,;78.67,-42.25,;77.9,-40.91,;76.37,-40.92,;75.59,-42.25,;76.36,-43.57,;75.6,-39.59,;74.06,-39.59,;73.28,-38.25,;71.74,-38.26,;70.98,-39.59,;71.75,-40.92,;73.29,-40.92,;69.44,-39.59,;68.67,-38.25,;67.13,-38.25,;66.36,-39.58,;67.13,-40.92,;68.67,-40.92,;64.83,-39.58,;63.92,-38.33,;62.45,-38.81,;61.12,-38.04,;59.79,-38.82,;58.45,-38.05,;59.78,-40.36,;61.12,-41.13,;62.45,-40.35,;63.92,-40.83,)|

Structure