Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM223524
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<100±n/a nM
Citation
 Ahn, JH; Pagire, HS; Rhee, SD; Kim, KY; Jung, WH; Bae, M; Song, JS; Kim, K; Kwak, HJ Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient US Patent  US9321728 Publication Date 4/26/2016 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Homo sapiens (Human)
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM223524
Synonyms:
US9321728, 87
Type:
Small organic molecule
Emp. Form.:
C27H28ClN3O5
Mol. Mass.:
509.981
SMILES:
OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2Cl)-c2ccccc2)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;$,(10.16,-5.01,;11.5,-4.24,;12.83,-5.01,;11.5,-2.69,;10.16,-1.93,;10.16,-.38,;8.83,.38,;7.5,-.38,;7.5,-1.93,;8.83,-2.69,;6.16,.38,;4.83,-.38,;3.49,.38,;3.49,1.93,;2.16,2.69,;.83,1.93,;.83,.38,;-.51,2.69,;-1.84,1.93,;-3.17,2.69,;-4.51,1.93,;-4.51,.38,;-5.84,2.69,;-7.31,2.22,;-8.21,3.47,;-7.31,4.71,;-5.84,4.24,;-4.51,5.01,;-9.75,3.47,;-10.52,2.13,;-12.06,2.13,;-12.83,3.47,;-12.06,4.8,;-10.52,4.8,;4.83,2.69,;6.16,1.93,)|
Structure:
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