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BDBM209533 US9271969, 21

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F

InChI Key: InChIKey=VZOSKDVNYJURRM-ULHFLLESSA-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 = 209533   
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))
BDBM209533
PNG
(US9271969, 21)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.21,-5.75,;9.88,-4.98,;9.88,-3.44,;8.55,-5.75,;7.21,-4.98,;7.21,-3.44,;5.88,-2.67,;4.55,-3.44,;4.55,-4.98,;5.88,-5.75,;3.21,-2.67,;1.88,-3.44,;.55,-2.67,;.55,-1.13,;1.88,-.36,;3.21,-1.13,;-.79,-.36,;-.79,1.18,;-2.12,1.95,;-3.46,1.18,;-4.92,1.66,;-5.82,.41,;-4.92,-.83,;-3.46,-.36,;-2.12,-1.13,;-7.36,.41,;-8.13,-.92,;-8.13,1.75,;-9.67,1.75,;-10.44,.41,;-11.21,1.75,;-8.9,3.08,;-7.36,3.08,;-6.59,4.41,;-5.05,4.41,;-7.36,5.75,;-8.9,5.75,;-9.67,4.41,;-11.21,4.41,)|
Show InChI InChI=1S/C31H29F2N3O3/c32-24-10-11-26(33)25(16-24)31(13-14-31)35-30(39)27-18-36-17-23(9-12-28(36)34-27)22-7-5-21(6-8-22)20-3-1-19(2-4-20)15-29(37)38/h5-12,16-20H,1-4,13-15H2,(H,35,39)(H,37,38)/t19-,20?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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 (DGAT1)


(Homo sapiens (Human))
BDBM209533
PNG
(US9271969, 21)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NC1(CC1)c1cc(F)ccc1F |r,wD:4.3,(11.21,-5.75,;9.88,-4.98,;9.88,-3.44,;8.55,-5.75,;7.21,-4.98,;7.21,-3.44,;5.88,-2.67,;4.55,-3.44,;4.55,-4.98,;5.88,-5.75,;3.21,-2.67,;1.88,-3.44,;.55,-2.67,;.55,-1.13,;1.88,-.36,;3.21,-1.13,;-.79,-.36,;-.79,1.18,;-2.12,1.95,;-3.46,1.18,;-4.92,1.66,;-5.82,.41,;-4.92,-.83,;-3.46,-.36,;-2.12,-1.13,;-7.36,.41,;-8.13,-.92,;-8.13,1.75,;-9.67,1.75,;-10.44,.41,;-11.21,1.75,;-8.9,3.08,;-7.36,3.08,;-6.59,4.41,;-5.05,4.41,;-7.36,5.75,;-8.9,5.75,;-9.67,4.41,;-11.21,4.41,)|
Show InChI InChI=1S/C31H29F2N3O3/c32-24-10-11-26(33)25(16-24)31(13-14-31)35-30(39)27-18-36-17-23(9-12-28(36)34-27)22-7-5-21(6-8-22)20-3-1-19(2-4-20)15-29(37)38/h5-12,16-20H,1-4,13-15H2,(H,35,39)(H,37,38)/t19-,20?
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