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BDBM209517 US9271969, 5

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=BNRPWAHQXKWWJD-NZANSXMDNA-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 = 209517   
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))
BDBM209517
PNG
(US9271969, 5)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C29H26F3N3O4/c30-29(31,32)39-24-3-1-2-23(15-24)33-28(38)25-17-35-16-22(12-13-26(35)34-25)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-27(36)37/h1-3,8-13,15-19H,4-7,14H2,(H,33,38)(H,36,37)/t18-,19?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<125n/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))
BDBM209517
PNG
(US9271969, 5)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)Nc1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C29H26F3N3O4/c30-29(31,32)39-24-3-1-2-23(15-24)33-28(38)25-17-35-16-22(12-13-26(35)34-25)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-27(36)37/h1-3,8-13,15-19H,4-7,14H2,(H,33,38)(H,36,37)/t18-,19?
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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