Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209549' 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)) | BDBM209549
(US9271969, 37)Show SMILES Cc1ccccc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:29.33,(-11.99,1.75,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-9.68,5.75,;-8.91,4.41,;-9.68,3.08,;-8.91,1.75,;-7.37,1.75,;-6.6,.41,;-7.37,-.92,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;1.32,-1.13,;1.32,-2.67,;2.65,-3.44,;3.98,-2.67,;3.98,-1.13,;2.65,-.36,;5.32,-3.44,;6.65,-2.67,;7.98,-3.44,;7.98,-4.98,;9.32,-5.75,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,;6.65,-5.75,;5.32,-4.98,)| Show InChI InChI=1S/C30H31N3O3/c1-20-4-2-3-5-25(20)17-31-30(36)27-19-33-18-26(14-15-28(33)32-27)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-29(34)35/h2-5,10-15,18-19,21-22H,6-9,16-17H2,1H3,(H,31,36)(H,34,35)/t21-,22? | 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)) | BDBM209549
(US9271969, 37)Show SMILES Cc1ccccc1CNC(=O)c1cn2cc(ccc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:29.33,(-11.99,1.75,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-9.68,5.75,;-8.91,4.41,;-9.68,3.08,;-8.91,1.75,;-7.37,1.75,;-6.6,.41,;-7.37,-.92,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;1.32,-1.13,;1.32,-2.67,;2.65,-3.44,;3.98,-2.67,;3.98,-1.13,;2.65,-.36,;5.32,-3.44,;6.65,-2.67,;7.98,-3.44,;7.98,-4.98,;9.32,-5.75,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,;6.65,-5.75,;5.32,-4.98,)| Show InChI InChI=1S/C30H31N3O3/c1-20-4-2-3-5-25(20)17-31-30(36)27-19-33-18-26(14-15-28(33)32-27)24-12-10-23(11-13-24)22-8-6-21(7-9-22)16-29(34)35/h2-5,10-15,18-19,21-22H,6-9,16-17H2,1H3,(H,31,36)(H,34,35)/t21-,22? | 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 | |