BindingDB logo
myBDB logout

BDBM209567 US9271969, 55

SMILES: COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(sc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=UEZKINOWWBUZTJ-FNGKDXACSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 209567   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209567
PNG
(US9271969, 55)
Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(sc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:34.38,(-11.98,3.03,;-12.38,1.55,;-11.61,.21,;-12.38,-1.12,;-11.61,-2.45,;-10.04,-2.5,;-9.27,-3.84,;-7.73,-3.84,;-6.19,-3.84,;-7.73,-5.38,;-7.73,-2.3,;-9.3,-1.12,;-10.07,.21,;-9.3,1.55,;-7.76,1.55,;-6.99,2.88,;-7.76,4.21,;-5.45,2.88,;-4.54,1.63,;-3.08,2.11,;-1.62,1.63,;-.71,2.88,;-1.62,4.13,;-3.08,3.65,;-4.54,4.13,;.83,2.88,;1.6,1.55,;3.14,1.55,;3.91,2.88,;3.14,4.21,;1.6,4.21,;5.45,2.88,;6.22,4.21,;7.76,4.21,;8.53,2.88,;10.07,2.88,;10.84,4.21,;12.38,4.21,;10.07,5.55,;7.76,1.55,;6.22,1.55,)|
Show InChI InChI=1S/C29H28F3N3O5S/c1-39-24-11-10-22(40-29(30,31)32)13-21(24)14-33-27(38)23-15-35-16-25(41-28(35)34-23)20-8-6-19(7-9-20)18-4-2-17(3-5-18)12-26(36)37/h6-11,13,15-18H,2-5,12,14H2,1H3,(H,33,38)(H,36,37)/t17-,18?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<25n/an/an/an/a7.425



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 (DGAT1)


(Homo sapiens (Human))
BDBM209567
PNG
(US9271969, 55)
Show SMILES COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(sc2n1)-c1ccc(cc1)C1CC[C@H](CC(O)=O)CC1 |r,wD:34.38,(-11.98,3.03,;-12.38,1.55,;-11.61,.21,;-12.38,-1.12,;-11.61,-2.45,;-10.04,-2.5,;-9.27,-3.84,;-7.73,-3.84,;-6.19,-3.84,;-7.73,-5.38,;-7.73,-2.3,;-9.3,-1.12,;-10.07,.21,;-9.3,1.55,;-7.76,1.55,;-6.99,2.88,;-7.76,4.21,;-5.45,2.88,;-4.54,1.63,;-3.08,2.11,;-1.62,1.63,;-.71,2.88,;-1.62,4.13,;-3.08,3.65,;-4.54,4.13,;.83,2.88,;1.6,1.55,;3.14,1.55,;3.91,2.88,;3.14,4.21,;1.6,4.21,;5.45,2.88,;6.22,4.21,;7.76,4.21,;8.53,2.88,;10.07,2.88,;10.84,4.21,;12.38,4.21,;10.07,5.55,;7.76,1.55,;6.22,1.55,)|
Show InChI InChI=1S/C29H28F3N3O5S/c1-39-24-11-10-22(40-29(30,31)32)13-21(24)14-33-27(38)23-15-35-16-25(41-28(35)34-23)20-8-6-19(7-9-20)18-4-2-17(3-5-18)12-26(36)37/h6-11,13,15-18H,2-5,12,14H2,1H3,(H,33,38)(H,36,37)/t17-,18?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a7.425



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