Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209555' 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
(Mus musculus (mouse)) | BDBM209555
(US9271969, 43)Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:31.35,(-7.37,3.75,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,)| Show InChI InChI=1S/C30H29Cl2N3O3/c1-18-12-24(31)14-26(32)25(18)15-33-30(38)27-17-35-16-23(10-11-28(35)34-27)22-8-6-21(7-9-22)20-4-2-19(3-5-20)13-29(36)37/h6-12,14,16-17,19-20H,2-5,13,15H2,1H3,(H,33,38)(H,36,37)/t19-,20? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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
(Homo sapiens (Human)) | BDBM209555
(US9271969, 43)Show SMILES Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:31.35,(-7.37,3.75,;-8.91,3.75,;-9.68,5.08,;-11.22,5.08,;-11.99,6.41,;-11.99,3.75,;-11.22,2.41,;-11.99,1.08,;-9.68,2.41,;-8.91,1.08,;-7.37,1.08,;-6.6,-.25,;-7.37,-1.59,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;1.32,-1.79,;1.32,-3.33,;2.65,-4.1,;3.98,-3.33,;3.98,-1.79,;2.65,-1.02,;5.32,-4.1,;6.65,-3.33,;7.98,-4.1,;7.98,-5.64,;9.32,-6.41,;10.65,-5.64,;11.99,-6.41,;10.65,-4.1,;6.65,-6.41,;5.32,-5.64,)| Show InChI InChI=1S/C30H29Cl2N3O3/c1-18-12-24(31)14-26(32)25(18)15-33-30(38)27-17-35-16-23(10-11-28(35)34-27)22-8-6-21(7-9-22)20-4-2-19(3-5-20)13-29(36)37/h6-12,14,16-17,19-20H,2-5,13,15H2,1H3,(H,33,38)(H,36,37)/t19-,20? | 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 | |