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SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1

InChI Key: InChIKey=SADCEZRXVQTSMC-VGJLGSEPSA-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 = 209538   
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))
BDBM209538
PNG
(US9271969, 26)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1 |r,wD:4.3,(12.21,-7.42,;10.74,-6.62,;10.74,-5.08,;9.43,-7.3,;8.1,-6.53,;8.1,-4.99,;6.76,-4.22,;5.43,-4.99,;5.43,-6.53,;6.76,-7.3,;4.1,-4.22,;2.76,-4.99,;1.43,-4.22,;1.43,-2.68,;2.76,-1.91,;4.1,-2.68,;.1,-1.91,;.1,-.37,;-1.24,.4,;-2.57,-.37,;-4.04,.11,;-4.94,-1.14,;-4.04,-2.39,;-2.57,-1.91,;-1.24,-2.68,;-6.48,-1.14,;-7.25,-2.47,;-7.25,.19,;-6.48,1.53,;-7.25,2.86,;-6.48,4.19,;-7.25,5.53,;-8.79,5.53,;-9.35,6.96,;-10.83,7.42,;-12.1,6.55,;-12.21,5.01,;-11.09,3.97,;-9.56,4.19,;-8.79,2.86,)|
Show InChI InChI=1S/C32H33N3O5/c36-31(37)17-21-2-5-23(6-3-21)24-7-9-25(10-8-24)26-11-13-30-34-27(20-35(30)19-26)32(38)33-18-22-4-12-28-29(16-22)40-15-1-14-39-28/h4,7-13,16,19-21,23H,1-3,5-6,14-15,17-18H2,(H,33,38)(H,36,37)/t21-,23?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.90n/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))
BDBM209538
PNG
(US9271969, 26)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCCCOc2c1 |r,wD:4.3,(12.21,-7.42,;10.74,-6.62,;10.74,-5.08,;9.43,-7.3,;8.1,-6.53,;8.1,-4.99,;6.76,-4.22,;5.43,-4.99,;5.43,-6.53,;6.76,-7.3,;4.1,-4.22,;2.76,-4.99,;1.43,-4.22,;1.43,-2.68,;2.76,-1.91,;4.1,-2.68,;.1,-1.91,;.1,-.37,;-1.24,.4,;-2.57,-.37,;-4.04,.11,;-4.94,-1.14,;-4.04,-2.39,;-2.57,-1.91,;-1.24,-2.68,;-6.48,-1.14,;-7.25,-2.47,;-7.25,.19,;-6.48,1.53,;-7.25,2.86,;-6.48,4.19,;-7.25,5.53,;-8.79,5.53,;-9.35,6.96,;-10.83,7.42,;-12.1,6.55,;-12.21,5.01,;-11.09,3.97,;-9.56,4.19,;-8.79,2.86,)|
Show InChI InChI=1S/C32H33N3O5/c36-31(37)17-21-2-5-23(6-3-21)24-7-9-25(10-8-24)26-11-13-30-34-27(20-35(30)19-26)32(38)33-18-22-4-12-28-29(16-22)40-15-1-14-39-28/h4,7-13,16,19-21,23H,1-3,5-6,14-15,17-18H2,(H,33,38)(H,36,37)/t21-,23?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29.5n/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