Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50438709' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438709
(CHEMBL2413095)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)| Show InChI InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045 BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50438709
(CHEMBL2413095)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12 |r,wD:27.29,24.25,(28.24,-51.09,;28.26,-52.64,;26.93,-53.42,;26.95,-54.96,;28.29,-55.72,;29.63,-54.93,;30.83,-55.89,;32.34,-55.52,;33,-54.13,;32.31,-52.74,;33.27,-51.52,;32.69,-50.09,;33.64,-48.89,;35.15,-49.11,;35.72,-50.53,;34.77,-51.73,;36.13,-47.88,;37.64,-48.1,;38.61,-46.88,;38.03,-45.42,;36.49,-45.24,;35.55,-46.43,;38.97,-44.23,;40.49,-44.45,;38.4,-42.78,;36.85,-42.54,;36.29,-41.13,;37.24,-39.93,;36.66,-38.49,;38.74,-40.15,;39.31,-41.57,;30.81,-52.41,;30.44,-50.91,;29.61,-53.39,)| Show InChI InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 574 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi... |
Bioorg Med Chem 21: 5081-97 (2013)
Article DOI: 10.1016/j.bmc.2013.06.045 BindingDB Entry DOI: 10.7270/Q26111RG |
More data for this Ligand-Target Pair | |