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SMILES: CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O

InChI Key: InChIKey=RPKLUOGFCCKPJK-VIBVUGJGSA-N

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 = 209578   
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))
BDBM209578
PNG
(US9271969, 66)
Show SMILES CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O |r,wD:3.2,(8.55,-7.08,;9.32,-5.75,;10.09,-7.08,;7.98,-4.98,;7.98,-3.44,;6.65,-2.67,;5.32,-3.44,;5.32,-4.98,;6.65,-5.75,;3.98,-2.67,;2.65,-3.44,;1.32,-2.67,;1.32,-1.13,;2.65,-.36,;3.98,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-6.59,.41,;-7.37,-.92,;-7.37,1.75,;-8.91,1.75,;-9.67,3.08,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-11.99,7.08,;-13.53,7.08,;-15.07,7.08,;-13.53,5.54,;-13.53,8.62,;-9.67,5.75,;-8.91,4.41,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,)|
Show InChI InChI=1S/C32H32F3N3O4/c1-31(2,30(40)41)25-12-9-22(10-13-25)21-5-7-23(8-6-21)24-11-16-28-37-27(19-38(28)18-24)29(39)36-17-20-3-14-26(15-4-20)42-32(33,34)35/h3-8,11,14-16,18-19,22,25H,9-10,12-13,17H2,1-2H3,(H,36,39)(H,40,41)/t22?,25-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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


(Homo sapiens (Human))
BDBM209578
PNG
(US9271969, 66)
Show SMILES CC(C)([C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1)C(O)=O |r,wD:3.2,(8.55,-7.08,;9.32,-5.75,;10.09,-7.08,;7.98,-4.98,;7.98,-3.44,;6.65,-2.67,;5.32,-3.44,;5.32,-4.98,;6.65,-5.75,;3.98,-2.67,;2.65,-3.44,;1.32,-2.67,;1.32,-1.13,;2.65,-.36,;3.98,-1.13,;-.02,-.36,;-.02,1.18,;-1.35,1.95,;-2.69,1.18,;-4.15,1.66,;-5.06,.41,;-4.15,-.83,;-2.69,-.36,;-1.35,-1.13,;-6.59,.41,;-7.37,-.92,;-7.37,1.75,;-8.91,1.75,;-9.67,3.08,;-11.22,3.08,;-11.99,4.41,;-11.22,5.75,;-11.99,7.08,;-13.53,7.08,;-15.07,7.08,;-13.53,5.54,;-13.53,8.62,;-9.67,5.75,;-8.91,4.41,;10.65,-4.98,;11.99,-5.75,;10.65,-3.44,)|
Show InChI InChI=1S/C32H32F3N3O4/c1-31(2,30(40)41)25-12-9-22(10-13-25)21-5-7-23(8-6-21)24-11-16-28-37-27(19-38(28)18-24)29(39)36-17-20-3-14-26(15-4-20)42-32(33,34)35/h3-8,11,14-16,18-19,22,25H,9-10,12-13,17H2,1-2H3,(H,36,39)(H,40,41)/t22?,25-
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