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Patent code US8912208

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM140514
PNG
(US8912208, 6-29)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)-c1ccc(Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C20H17ClN4O3/c21-15-2-1-3-16(12-15)23-18-9-8-17(24-25-18)13-4-6-14(7-5-13)20(28)22-11-10-19(26)27/h1-9,12H,10-11H2,(H,22,28)(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8912208 (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WM7
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM140511
PNG
(US8912208, 3-15)
Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1cnc(Nc2ccc(cc2Cl)C(F)(F)F)o1 |(2.47,10.67,;2.47,9.13,;1.13,8.36,;3.8,8.36,;3.8,6.82,;5.14,6.05,;5.14,4.51,;3.8,3.74,;2.47,4.51,;2.47,6.05,;3.8,2.2,;5.14,1.43,;5.14,-.11,;3.8,-.88,;2.47,-.11,;2.47,1.43,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.48,-6.04,;4.85,-7.45,;3.32,-7.61,;2.69,-9.02,;3.6,-10.26,;5.13,-10.1,;5.76,-8.69,;7.29,-8.53,;2.97,-11.67,;2.35,-13.08,;1.56,-11.04,;4.38,-12.29,;5.05,-3.33,)|
Show InChI InChI=1S/C24H22ClF3N2O3/c25-19-12-18(24(26,27)28)9-10-20(19)30-23-29-13-21(33-23)17-7-5-16(6-8-17)15-3-1-14(2-4-15)11-22(31)32/h5-10,12-15H,1-4,11H2,(H,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 600n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8912208 (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WM7
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM140512
PNG
(US8912208, 3-25)
Show SMILES OC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1cnc(Nc2cccc(Cl)c2)o1
Show InChI InChI=1S/C24H19ClN2O3/c25-20-2-1-3-21(14-20)27-24-26-15-22(30-24)19-11-9-18(10-12-19)17-7-4-16(5-8-17)6-13-23(28)29/h1-5,7-12,14-15H,6,13H2,(H,26,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8912208 (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WM7
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM140513
PNG
(US8912208, 3-33)
Show SMILES OC(=O)CCC(=O)N1CCC(=CC1)c1ccc(cc1)-c1cnc(Nc2cccc(Cl)c2)o1 |c:10|
Show InChI InChI=1S/C24H22ClN3O4/c25-19-2-1-3-20(14-19)27-24-26-15-21(32-24)18-6-4-16(5-7-18)17-10-12-28(13-11-17)22(29)8-9-23(30)31/h1-7,10,14-15H,8-9,11-13H2,(H,26,27)(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8912208 (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WM7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%