Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209537' 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)) | BDBM209537
(US9271969, 25)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 |r,wD:4.3,(15.07,-7.08,;13.73,-6.31,;13.73,-4.77,;12.4,-7.08,;11.06,-6.31,;11.06,-4.77,;9.73,-4,;8.4,-4.77,;8.4,-6.31,;9.73,-7.08,;7.06,-4,;5.73,-4.77,;4.4,-4,;4.4,-2.46,;5.73,-1.69,;7.06,-2.46,;3.06,-1.69,;3.06,-.15,;1.73,.62,;.39,-.15,;-1.07,.32,;-1.98,-.92,;-1.07,-2.17,;.39,-1.69,;1.73,-2.46,;-3.52,-.92,;-4.29,-2.25,;-4.29,.41,;-5.83,.41,;-6.6,1.75,;-8.14,1.75,;-8.91,3.08,;-8.14,4.41,;-8.91,5.75,;-10.45,5.75,;-11.22,4.41,;-12.76,4.41,;-13.53,5.75,;-15.07,5.75,;-12.76,7.08,;-11.22,7.08,;-6.6,4.41,;-5.83,3.08,)| Show InChI InChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)/t23-,25? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.30 | 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)) | BDBM209537
(US9271969, 25)Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 |r,wD:4.3,(15.07,-7.08,;13.73,-6.31,;13.73,-4.77,;12.4,-7.08,;11.06,-6.31,;11.06,-4.77,;9.73,-4,;8.4,-4.77,;8.4,-6.31,;9.73,-7.08,;7.06,-4,;5.73,-4.77,;4.4,-4,;4.4,-2.46,;5.73,-1.69,;7.06,-2.46,;3.06,-1.69,;3.06,-.15,;1.73,.62,;.39,-.15,;-1.07,.32,;-1.98,-.92,;-1.07,-2.17,;.39,-1.69,;1.73,-2.46,;-3.52,-.92,;-4.29,-2.25,;-4.29,.41,;-5.83,.41,;-6.6,1.75,;-8.14,1.75,;-8.91,3.08,;-8.14,4.41,;-8.91,5.75,;-10.45,5.75,;-11.22,4.41,;-12.76,4.41,;-13.53,5.75,;-15.07,5.75,;-12.76,7.08,;-11.22,7.08,;-6.6,4.41,;-5.83,3.08,)| Show InChI InChI=1S/C35H32FN3O4/c36-29-12-16-31(17-13-29)43-30-14-3-24(4-15-30)20-37-35(42)32-22-39-21-28(11-18-33(39)38-32)27-9-7-26(8-10-27)25-5-1-23(2-6-25)19-34(40)41/h3-4,7-18,21-23,25H,1-2,5-6,19-20H2,(H,37,42)(H,40,41)/t23-,25? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16.8 | 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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