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BDBM209540 US9271969, 28

SMILES: OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1Cl

InChI Key: InChIKey=HHEDIEFRAMJWTP-NZANSXMDSA-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 = 209540   
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))
BDBM209540
PNG
(US9271969, 28)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1Cl |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-11.27,3.14,;-12.04,1.8,;-12.04,4.47,;-11.27,5.81,;-9.73,5.81,;-8.96,4.47,;-7.42,4.47,)|
Show InChI InChI=1S/C29H27Cl2N3O3/c30-24-2-1-3-25(31)23(24)15-32-29(37)26-17-34-16-22(12-13-27(34)33-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(35)36/h1-3,8-13,16-19H,4-7,14-15H2,(H,32,37)(H,35,36)/t18-,19?
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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))
BDBM209540
PNG
(US9271969, 28)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(cc1)-c1ccc2nc(cn2c1)C(=O)NCc1c(Cl)cccc1Cl |r,wD:4.3,(12.04,-5.81,;10.56,-5.01,;10.56,-3.47,;9.26,-5.69,;7.93,-4.92,;7.93,-3.38,;6.59,-2.61,;5.26,-3.38,;5.26,-4.92,;6.59,-5.69,;3.93,-2.61,;2.59,-3.38,;1.26,-2.61,;1.26,-1.07,;2.59,-.3,;3.93,-1.07,;-.08,-.3,;-.08,1.24,;-1.41,2.01,;-2.74,1.24,;-4.21,1.72,;-5.11,.47,;-4.21,-.78,;-2.74,-.3,;-1.41,-1.07,;-6.65,.47,;-7.42,-.86,;-7.42,1.8,;-8.96,1.8,;-9.73,3.14,;-11.27,3.14,;-12.04,1.8,;-12.04,4.47,;-11.27,5.81,;-9.73,5.81,;-8.96,4.47,;-7.42,4.47,)|
Show InChI InChI=1S/C29H27Cl2N3O3/c30-24-2-1-3-25(31)23(24)15-32-29(37)26-17-34-16-22(12-13-27(34)33-26)21-10-8-20(9-11-21)19-6-4-18(5-7-19)14-28(35)36/h1-3,8-13,16-19H,4-7,14-15H2,(H,32,37)(H,35,36)/t18-,19?
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