Found 3 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50437392' 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)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse DGAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50437392
(CHEMBL2408631)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)-c1ccc(cn1)-c1nc2ccc(cc2[nH]1)C(F)(F)F |r,wU:6.9,wD:3.2,(20.2,-61.8,;20.97,-60.46,;22.51,-60.47,;20.2,-59.12,;20.97,-57.79,;20.2,-56.45,;18.67,-56.47,;17.89,-57.79,;18.66,-59.12,;17.89,-55.14,;16.35,-55.14,;15.57,-53.8,;14.04,-53.81,;13.27,-55.14,;14.04,-56.48,;15.58,-56.48,;11.74,-55.14,;10.96,-53.8,;9.43,-53.81,;8.66,-55.14,;9.43,-56.48,;10.97,-56.48,;7.12,-55.14,;6.22,-56.39,;4.75,-55.91,;3.42,-56.67,;2.09,-55.91,;2.09,-54.37,;3.42,-53.59,;4.75,-54.37,;6.22,-53.89,;.76,-53.6,;-.58,-54.38,;.75,-52.06,;-.58,-52.83,)| Show InChI InChI=1S/C25H21F3N4O3/c26-25(27,28)17-5-9-20-21(11-17)32-23(31-20)16-3-8-19(29-13-16)15-4-10-22(30-12-15)35-18-6-1-14(2-7-18)24(33)34/h3-5,8-14,18H,1-2,6-7H2,(H,31,32)(H,33,34)/t14-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ACAT1 |
ACS Med Chem Lett 4: 773-8 (2013)
Article DOI: 10.1021/ml400168h BindingDB Entry DOI: 10.7270/Q2NG4S28 |
More data for this Ligand-Target Pair | |