Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM209569' 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)) | BDBM209569
(US9271969, 57)Show SMILES COc1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:27.30,(-12.76,4.67,;-11.22,4.67,;-10.45,3.33,;-8.91,3.33,;-8.14,2,;-8.91,.67,;-8.14,-.67,;-8.91,-2,;-8.14,-3.33,;-8.91,-4.67,;-6.6,-3.33,;-5.7,-4.58,;-4.24,-4.1,;-2.77,-4.58,;-1.87,-3.33,;-2.77,-2.09,;-4.24,-2.56,;-5.7,-2.09,;-.33,-3.33,;.44,-2,;1.98,-2,;2.75,-3.33,;1.98,-4.67,;.44,-4.67,;4.29,-3.33,;5.06,-2,;6.6,-2,;7.37,-3.33,;8.91,-3.33,;9.68,-2,;11.22,-2,;8.91,-.67,;6.6,-4.67,;5.06,-4.67,;-10.45,.67,;-11.22,2,)| Show InChI InChI=1S/C28H29N3O4S/c1-35-23-12-4-19(5-13-23)15-29-27(34)24-16-31-17-25(36-28(31)30-24)22-10-8-21(9-11-22)20-6-2-18(3-7-20)14-26(32)33/h4-5,8-13,16-18,20H,2-3,6-7,14-15H2,1H3,(H,29,34)(H,32,33)/t18-,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 | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM209569
(US9271969, 57)Show SMILES COc1ccc(CNC(=O)c2cn3cc(sc3n2)-c2ccc(cc2)C2CC[C@H](CC(O)=O)CC2)cc1 |r,wD:27.30,(-12.76,4.67,;-11.22,4.67,;-10.45,3.33,;-8.91,3.33,;-8.14,2,;-8.91,.67,;-8.14,-.67,;-8.91,-2,;-8.14,-3.33,;-8.91,-4.67,;-6.6,-3.33,;-5.7,-4.58,;-4.24,-4.1,;-2.77,-4.58,;-1.87,-3.33,;-2.77,-2.09,;-4.24,-2.56,;-5.7,-2.09,;-.33,-3.33,;.44,-2,;1.98,-2,;2.75,-3.33,;1.98,-4.67,;.44,-4.67,;4.29,-3.33,;5.06,-2,;6.6,-2,;7.37,-3.33,;8.91,-3.33,;9.68,-2,;11.22,-2,;8.91,-.67,;6.6,-4.67,;5.06,-4.67,;-10.45,.67,;-11.22,2,)| Show InChI InChI=1S/C28H29N3O4S/c1-35-23-12-4-19(5-13-23)15-29-27(34)24-16-31-17-25(36-28(31)30-24)22-10-8-21(9-11-22)20-6-2-18(3-7-20)14-26(32)33/h4-5,8-13,16-18,20H,2-3,6-7,14-15H2,1H3,(H,29,34)(H,32,33)/t18-,20? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <150 | 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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