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BDBM209526 US9271969, 14

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=YDCPHAKIQZCMFS-JZEGNIGUSA-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 = 209526   
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))
BDBM209526
PNG
(US9271969, 14)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1 |r,wD:4.3,(12.82,-6.32,;11.49,-5.55,;11.49,-4.01,;10.15,-6.32,;8.82,-5.55,;8.82,-4.01,;7.48,-3.24,;6.15,-4.01,;6.15,-5.55,;7.48,-6.32,;4.82,-3.24,;3.48,-4.01,;2.15,-3.24,;2.15,-1.7,;3.48,-.93,;4.82,-1.7,;.82,-.93,;.82,.61,;-.52,1.38,;-1.85,.61,;-3.32,1.09,;-4.22,-.16,;-3.32,-1.41,;-1.85,-.93,;-.52,-1.7,;-5.76,-.16,;-6.53,-1.49,;-6.53,1.17,;-8.07,1.17,;-8.84,2.51,;-8.07,3.84,;-8.84,5.18,;-10.38,5.18,;-11.41,6.32,;-12.82,5.69,;-12.66,4.16,;-11.15,3.84,;-10.38,2.51,)|
Show InChI InChI=1S/C30H29N3O5/c34-29(35)14-19-1-4-21(5-2-19)22-6-8-23(9-7-22)24-10-12-28-32-25(17-33(28)16-24)30(36)31-15-20-3-11-26-27(13-20)38-18-37-26/h3,6-13,16-17,19,21H,1-2,4-5,14-15,18H2,(H,31,36)(H,34,35)/t19-,21?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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))
BDBM209526
PNG
(US9271969, 14)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1ccc2OCOc2c1 |r,wD:4.3,(12.82,-6.32,;11.49,-5.55,;11.49,-4.01,;10.15,-6.32,;8.82,-5.55,;8.82,-4.01,;7.48,-3.24,;6.15,-4.01,;6.15,-5.55,;7.48,-6.32,;4.82,-3.24,;3.48,-4.01,;2.15,-3.24,;2.15,-1.7,;3.48,-.93,;4.82,-1.7,;.82,-.93,;.82,.61,;-.52,1.38,;-1.85,.61,;-3.32,1.09,;-4.22,-.16,;-3.32,-1.41,;-1.85,-.93,;-.52,-1.7,;-5.76,-.16,;-6.53,-1.49,;-6.53,1.17,;-8.07,1.17,;-8.84,2.51,;-8.07,3.84,;-8.84,5.18,;-10.38,5.18,;-11.41,6.32,;-12.82,5.69,;-12.66,4.16,;-11.15,3.84,;-10.38,2.51,)|
Show InChI InChI=1S/C30H29N3O5/c34-29(35)14-19-1-4-21(5-2-19)22-6-8-23(9-7-22)24-10-12-28-32-25(17-33(28)16-24)30(36)31-15-20-3-11-26-27(13-20)38-18-37-26/h3,6-13,16-17,19,21H,1-2,4-5,14-15,18H2,(H,31,36)(H,34,35)/t19-,21?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.9n/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