Ki Summary

Reaction Details

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Target

Diacylglycerol O-acyltransferase 1

Ligand

BDBM50399681

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_876789 (CHEMBL2183606)

IC50

30±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

BDBM50399681

n/a

Name

BDBM50399681

Synonyms:

CHEMBL2178947

Type

Small organic molecule

Emp. Form.

C23H27N3O3

Mol. Mass.

393.4788

SMILES

Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wD:18.18,21.23,(18.55,-22.65,;19.88,-21.88,;21.22,-22.65,;22.55,-21.88,;23.89,-22.64,;22.55,-20.34,;21.22,-19.57,;19.88,-20.34,;18.55,-19.56,;17.22,-20.33,;18.55,-18.02,;23.88,-19.57,;23.88,-18.03,;25.21,-17.26,;26.55,-18.02,;26.56,-19.56,;28.03,-20.03,;28.93,-18.78,;28.01,-17.53,;26.91,-16.45,;27.31,-14.96,;28.79,-14.56,;29.19,-13.07,;30.68,-12.67,;31.77,-13.75,;31.07,-11.18,;29.88,-15.65,;29.49,-17.13,;25.21,-20.34,)|

Structure