Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50399683

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_876789 (CHEMBL2183606)

IC50

120±n/a nM

Citation

Barlind, JG; Bauer, UA; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Davies, RD; Eriksson, JW; Hammond, CD; Hovland, R; Johannesson, P; Johansson, MJ; Kemmitt, PD; Lindmark, BT; Morentin Gutierrez, P; Noeske, TA; Nordin, A; O'Donnell, CJ; Petersson, AU; Redzic, A; Turnbull, AV; Vinblad, J Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). J Med Chem55:10610-29 (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

BDBM50399683

n/a

Name

BDBM50399683

Synonyms:

CHEMBL2178945

Type

Small organic molecule

Emp. Form.

C21H24FN3O3

Mol. Mass.

385.432

SMILES

Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(F)c1 |r,wU:15.15,18.19,(58.03,-11.07,;59.36,-10.3,;60.7,-11.07,;62.03,-10.3,;63.37,-11.06,;62.03,-8.76,;60.7,-7.99,;59.36,-8.75,;58.03,-7.98,;56.69,-8.75,;58.03,-6.44,;63.36,-7.99,;63.36,-6.45,;64.69,-5.68,;66.03,-6.44,;67.36,-5.67,;68.7,-6.44,;70.02,-5.67,;70.02,-4.13,;71.36,-3.36,;72.69,-4.13,;74.03,-3.36,;72.69,-5.67,;68.69,-3.36,;67.35,-4.13,;66.03,-7.99,;67.37,-8.76,;64.69,-8.76,)|

Structure