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BDBM209566 US9271969, 54

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NC1(CC1)c1cc(F)ccc1F

InChI Key: InChIKey=TXFWIUPMSPUEGC-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 = 209566   
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))
BDBM209566
PNG
(US9271969, 54)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.61,2.67,;10.07,2.67,;9.3,4,;9.3,1.33,;7.76,1.33,;6.99,2.67,;5.45,2.67,;4.68,1.33,;5.45,,;6.99,,;3.14,1.33,;2.37,,;.83,,;.06,1.33,;.83,2.67,;2.37,2.67,;-1.48,1.33,;-2.39,.09,;-3.85,.56,;-5.31,.09,;-6.22,1.33,;-5.31,2.58,;-3.85,2.1,;-2.39,2.58,;-7.76,1.33,;-8.53,2.67,;-8.53,,;-10.07,,;-10.84,1.33,;-11.61,,;-9.3,-1.33,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-7.76,-4,;-9.3,-4,;-10.07,-2.67,;-11.61,-2.67,)|
Show InChI InChI=1S/C29H27F2N3O3S/c30-21-9-10-23(31)22(14-21)29(11-12-29)33-27(37)24-15-34-16-25(38-28(34)32-24)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-26(35)36/h5-10,14-18H,1-4,11-13H2,(H,33,37)(H,35,36)/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))
BDBM209566
PNG
(US9271969, 54)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1cn2cc(nc2s1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.61,2.67,;10.07,2.67,;9.3,4,;9.3,1.33,;7.76,1.33,;6.99,2.67,;5.45,2.67,;4.68,1.33,;5.45,,;6.99,,;3.14,1.33,;2.37,,;.83,,;.06,1.33,;.83,2.67,;2.37,2.67,;-1.48,1.33,;-2.39,.09,;-3.85,.56,;-5.31,.09,;-6.22,1.33,;-5.31,2.58,;-3.85,2.1,;-2.39,2.58,;-7.76,1.33,;-8.53,2.67,;-8.53,,;-10.07,,;-10.84,1.33,;-11.61,,;-9.3,-1.33,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-7.76,-4,;-9.3,-4,;-10.07,-2.67,;-11.61,-2.67,)|
Show InChI InChI=1S/C29H27F2N3O3S/c30-21-9-10-23(31)22(14-21)29(11-12-29)33-27(37)24-15-34-16-25(38-28(34)32-24)20-7-5-19(6-8-20)18-3-1-17(2-4-18)13-26(35)36/h5-10,14-18H,1-4,11-13H2,(H,33,37)(H,35,36)/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