Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209552' 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)) | BDBM209552
(US9271969, 40)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)c(F)c(F)c1 |r,wD:4.3,(12.75,-5.08,;11.42,-4.31,;11.42,-2.77,;10.09,-5.08,;8.75,-4.31,;8.75,-2.77,;7.42,-2,;6.09,-2.77,;6.09,-4.31,;7.42,-5.08,;4.75,-2,;3.42,-2.77,;2.09,-2,;2.09,-.46,;3.42,.31,;4.75,-.46,;.75,.31,;.75,1.85,;-.58,2.62,;-1.92,1.85,;-3.38,2.33,;-4.29,1.08,;-3.38,-.17,;-1.92,.31,;-.58,-.46,;-5.83,1.08,;-6.59,-.25,;-6.59,2.41,;-8.14,2.41,;-8.91,3.75,;-10.45,3.75,;-11.22,5.08,;-11.22,2.41,;-12.75,2.41,;-10.45,1.08,;-11.22,-.25,;-8.91,1.08,)| Show InChI InChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)/t16-,17? | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <1 | 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)) | BDBM209552
(US9271969, 40)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cc(F)c(F)c(F)c1 |r,wD:4.3,(12.75,-5.08,;11.42,-4.31,;11.42,-2.77,;10.09,-5.08,;8.75,-4.31,;8.75,-2.77,;7.42,-2,;6.09,-2.77,;6.09,-4.31,;7.42,-5.08,;4.75,-2,;3.42,-2.77,;2.09,-2,;2.09,-.46,;3.42,.31,;4.75,-.46,;.75,.31,;.75,1.85,;-.58,2.62,;-1.92,1.85,;-3.38,2.33,;-4.29,1.08,;-3.38,-.17,;-1.92,.31,;-.58,-.46,;-5.83,1.08,;-6.59,-.25,;-6.59,2.41,;-8.14,2.41,;-8.91,3.75,;-10.45,3.75,;-11.22,5.08,;-11.22,2.41,;-12.75,2.41,;-10.45,1.08,;-11.22,-.25,;-8.91,1.08,)| Show InChI InChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)/t16-,17? | 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 | |