Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209513' 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)) | BDBM209513
(US9271969, 1)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(11.99,-6.41,;10.65,-5.64,;10.65,-4.1,;9.32,-6.41,;7.98,-5.64,;7.98,-4.1,;6.65,-3.33,;5.32,-4.1,;5.32,-5.64,;6.65,-6.41,;3.98,-3.33,;2.65,-4.1,;1.32,-3.33,;1.32,-1.79,;2.65,-1.02,;3.98,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-6.59,-.25,;-7.37,-1.59,;-7.37,1.08,;-8.91,1.08,;-9.67,2.41,;-11.22,2.41,;-11.99,3.75,;-11.22,5.08,;-11.99,6.41,;-11.59,7.9,;-11.19,9.39,;-10.25,7.13,;-13.13,7.9,;-9.67,5.08,;-8.91,3.75,)| Show InChI InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
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)) | BDBM209513
(US9271969, 1)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(11.99,-6.41,;10.65,-5.64,;10.65,-4.1,;9.32,-6.41,;7.98,-5.64,;7.98,-4.1,;6.65,-3.33,;5.32,-4.1,;5.32,-5.64,;6.65,-6.41,;3.98,-3.33,;2.65,-4.1,;1.32,-3.33,;1.32,-1.79,;2.65,-1.02,;3.98,-1.79,;-.02,-1.02,;-.02,.52,;-1.35,1.29,;-2.69,.52,;-4.15,.99,;-5.06,-.25,;-4.15,-1.5,;-2.69,-1.02,;-1.35,-1.79,;-6.59,-.25,;-7.37,-1.59,;-7.37,1.08,;-8.91,1.08,;-9.67,2.41,;-11.22,2.41,;-11.99,3.75,;-11.22,5.08,;-11.99,6.41,;-11.59,7.9,;-11.19,9.39,;-10.25,7.13,;-13.13,7.9,;-9.67,5.08,;-8.91,3.75,)| Show InChI InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
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 | |
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