Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209568' 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)) | BDBM209568
(US9271969, 56)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,.67,;1.6,.67,;.83,2,;1.6,3.33,;3.14,3.33,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-9.3,-2,;-10.07,-3.33,;-11.61,-3.33,;-12.38,-4.67,;-13.87,-5.07,;-15.35,-5.47,;-13.47,-6.55,;-13.87,-3.53,;-12.38,-2,;-11.61,-.67,)| Show InChI InChI=1S/C28H26F3N3O4S/c29-28(30,31)38-22-11-3-18(4-12-22)14-32-26(37)23-15-34-16-24(39-27(34)33-23)21-9-7-20(8-10-21)19-5-1-17(2-6-19)13-25(35)36/h3-4,7-12,15-17,19H,1-2,5-6,13-14H2,(H,32,37)(H,35,36)/t17-,19? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209568
(US9271969, 56)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(12.38,3.33,;10.84,3.33,;10.07,4.67,;10.07,2,;8.53,2,;7.76,3.33,;6.22,3.33,;5.45,2,;6.22,.67,;7.76,.67,;3.91,2,;3.14,.67,;1.6,.67,;.83,2,;1.6,3.33,;3.14,3.33,;-.71,2,;-1.62,.75,;-3.08,1.23,;-4.54,.75,;-5.45,2,;-4.54,3.25,;-3.08,2.77,;-1.62,3.25,;-6.99,2,;-7.76,3.33,;-7.76,.67,;-9.3,.67,;-10.07,-.67,;-9.3,-2,;-10.07,-3.33,;-11.61,-3.33,;-12.38,-4.67,;-13.87,-5.07,;-15.35,-5.47,;-13.47,-6.55,;-13.87,-3.53,;-12.38,-2,;-11.61,-.67,)| Show InChI InChI=1S/C28H26F3N3O4S/c29-28(30,31)38-22-11-3-18(4-12-22)14-32-26(37)23-15-34-16-24(39-27(34)33-23)21-9-7-20(8-10-21)19-5-1-17(2-6-19)13-25(35)36/h3-4,7-12,15-17,19H,1-2,5-6,13-14H2,(H,32,37)(H,35,36)/t17-,19? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | 7.4 | 25 |
KAINOS MEDICINE, INC.
US Patent
| Assay Description Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) ... |
US Patent US9271969 (2016)
BindingDB Entry DOI: 10.7270/Q2057DS8 |
More data for this Ligand-Target Pair | |