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SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=LIDUBCTXWWYTGR-NZANSXMDSA-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 = 209515   
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


(Homo sapiens (Human))
BDBM209515
PNG
(US9271969, 3)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(9.01,4.57,;7.67,3.8,;6.34,4.57,;7.67,2.26,;6.34,1.49,;5.01,2.26,;3.67,1.49,;3.67,-.05,;5.01,-.82,;6.34,-.05,;2.34,-.82,;2.34,-2.36,;1.01,-3.13,;-.33,-2.36,;-.33,-.82,;1.01,-.05,;-1.66,-3.13,;-1.66,-4.67,;-2.99,-5.44,;-4.33,-4.67,;-5.79,-5.14,;-6.7,-3.9,;-5.79,-2.65,;-4.33,-3.13,;-2.99,-2.36,;-8.24,-3.9,;-9.01,-5.23,;-9.01,-2.56,;-8.24,-1.23,;-6.7,-1.23,;-5.93,.1,;-6.67,1.48,;-5.9,2.82,;-6.67,4.15,;-7.44,5.49,;-5.34,4.92,;-8,3.38,;-8.24,1.44,;-9.01,.1,)|
Show InChI InChI=1S/C29H26F3N3O4/c30-29(31,32)39-24-12-10-23(11-13-24)33-28(38)25-17-35-16-22(9-14-26(35)34-25)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-27(36)37/h5-14,16-19H,1-4,15H2,(H,33,38)(H,36,37)/t18-,19?
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM209515
PNG
(US9271969, 3)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r,wD:4.3,(9.01,4.57,;7.67,3.8,;6.34,4.57,;7.67,2.26,;6.34,1.49,;5.01,2.26,;3.67,1.49,;3.67,-.05,;5.01,-.82,;6.34,-.05,;2.34,-.82,;2.34,-2.36,;1.01,-3.13,;-.33,-2.36,;-.33,-.82,;1.01,-.05,;-1.66,-3.13,;-1.66,-4.67,;-2.99,-5.44,;-4.33,-4.67,;-5.79,-5.14,;-6.7,-3.9,;-5.79,-2.65,;-4.33,-3.13,;-2.99,-2.36,;-8.24,-3.9,;-9.01,-5.23,;-9.01,-2.56,;-8.24,-1.23,;-6.7,-1.23,;-5.93,.1,;-6.67,1.48,;-5.9,2.82,;-6.67,4.15,;-7.44,5.49,;-5.34,4.92,;-8,3.38,;-8.24,1.44,;-9.01,.1,)|
Show InChI InChI=1S/C29H26F3N3O4/c30-29(31,32)39-24-12-10-23(11-13-24)33-28(38)25-17-35-16-22(9-14-26(35)34-25)21-7-5-20(6-8-21)19-3-1-18(2-4-19)15-27(36)37/h5-14,16-19H,1-4,15H2,(H,33,38)(H,36,37)/t18-,19?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<75n/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