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Patent code US9738658

Compile Data Set for Download or QSAR
Found 36 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
hdgat le


(Homo sapiens (Human))
BDBM321150
PNG
(US10174049, Example 17 | US9738658, Example 17)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336120
PNG
(US9738658, Example 2)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12
Show InChI InChI=1S/C21H15F3N6O3/c22-21(23,24)33-15-3-1-2-13(9-15)29-5-4-12-8-14(10-26-18(12)29)30-6-7-32-19-16(20(30)31)17(25)27-11-28-19/h1-5,8-11H,6-7H2,(H2,25,27,28)
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321161
PNG
(US10174049, Example 28 | US9738658, Example 28)
Show SMILES COc1c(Cl)cccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18ClN5O3/c1-30-19-15(23)3-2-4-17(19)28-8-7-13-11-14(5-6-16(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336140
PNG
(US9738658, Example 22)
Show SMILES CCCn1ccc2cc(cc(C3CC3)c12)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1c(Cl)ncnc1Cl
Show InChI InChI=1S/C27H36Cl2N4O2Si/c1-7-11-32-12-10-19-15-20(16-21(23(19)32)18-8-9-18)33(13-14-35-36(5,6)27(2,3)4)26(34)22-24(28)30-17-31-25(22)29/h10,12,15-18H,7-9,11,13-14H2,1-6H3
UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321145
PNG
(US10174049, Example 12 | US9738658, Example 12)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(Cl)c3Cl)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-14-2-1-3-16(18(14)23)28-7-6-12-10-13(4-5-15(12)28)27-8-9-30-20-17(21(27)29)19(24)25-11-26-20/h1-7,10-11H,8-9H2,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321169
PNG
(US10174049, Example 36 | US9738658, Example 36)
Show SMILES COc1cccc(c1Br)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H18BrN5O3/c1-30-17-4-2-3-16(19(17)23)28-8-7-13-11-14(5-6-15(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321166
PNG
(US10174049, Example 33 | US9738658, Example 33)
Show SMILES CCc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O2/c1-2-15-5-3-4-6-18(15)28-10-9-16-13-17(7-8-19(16)28)27-11-12-30-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321141
PNG
(US10174049, Example 8 | US9738658, Example 8)
Show SMILES CC(C)COc1cccc(c1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C25H25N5O3/c1-16(2)14-33-20-5-3-4-18(13-20)29-9-8-17-12-19(6-7-21(17)29)30-10-11-32-24-22(25(30)31)23(26)27-15-28-24/h3-9,12-13,15-16H,10-11,14H2,1-2H3,(H2,26,27,28)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321140
PNG
(US10174049, Example 7 | US9738658, Example 7)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)F)c3)C(=O)c12
Show InChI InChI=1S/C22H17F2N5O3/c23-22(24)32-16-3-1-2-14(11-16)28-7-6-13-10-15(4-5-17(13)28)29-8-9-31-20-18(21(29)30)19(25)26-12-27-20/h1-7,10-12,22H,8-9H2,(H2,25,26,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336144
PNG
(US9738658, Example 26)
Show SMILES Cc1ccc(cn1)-n1ccc2cc(NC(=O)OC(C)(C)C)cc(C3CC3)c12
Show InChI InChI=1S/C22H25N3O2/c1-14-5-8-18(13-23-14)25-10-9-16-11-17(24-21(26)27-22(2,3)4)12-19(20(16)25)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,24,26)
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PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321153
PNG
(US10174049, Example 20 | US9738658, Example 20)
Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321149
PNG
(US10174049, Example 16 | US9738658, Example 16)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3O)C(=O)c12
Show InChI InChI=1S/C21H17N5O3/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)14-5-6-15-13(11-14)7-8-26(15)16-3-1-2-4-17(16)27/h1-8,11-12,27H,9-10H2,(H2,22,23,24)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321163
PNG
(US10174049, Example 30 | US9738658, Example 30)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)C3CCOCC3)C(=O)c12
Show InChI InChI=1S/C20H21N5O3/c21-18-17-19(23-12-22-18)28-10-7-25(20(17)26)15-1-2-16-13(11-15)3-6-24(16)14-4-8-27-9-5-14/h1-3,6,11-12,14H,4-5,7-10H2,(H2,21,22,23)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.10n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321138
PNG
(US10174049, Example 5 | US9738658, Example 5)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC(F)(F)F)C(=O)c12
Show InChI InChI=1S/C22H16F3N5O3/c23-22(24,25)33-17-4-2-1-3-16(17)30-8-7-13-11-14(5-6-15(13)30)29-9-10-32-20-18(21(29)31)19(26)27-12-28-20/h1-8,11-12H,9-10H2,(H2,26,27,28)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321148
PNG
(US10174049, Example 15 | US9738658, Example 15)
Show SMILES Cn1cc(ccc1=O)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C21H18N6O3/c1-25-11-15(3-5-17(25)28)26-7-6-13-10-14(2-4-16(13)26)27-8-9-30-20-18(21(27)29)19(22)23-12-24-20/h2-7,10-12H,8-9H2,1H3,(H2,22,23,24)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321143
PNG
(US10174049, Example 10 | US9738658, Example 10)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-13-8-14(23)10-16(9-13)27-4-3-12-7-15(1-2-17(12)27)28-5-6-30-20-18(21(28)29)19(24)25-11-26-20/h1-4,7-11H,5-6H2,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321162
PNG
(US10174049, Example 29 | US9738658, Example 29)
Show SMILES COc1cc(C)ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C23H21N5O3/c1-14-3-5-18(19(11-14)30-2)28-8-7-15-12-16(4-6-17(15)28)27-9-10-31-22-20(23(27)29)21(24)25-13-26-22/h3-8,11-13H,9-10H2,1-2H3,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.5n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321142
PNG
(US10174049, Example 9 | US9738658, Example 9)
Show SMILES CC(C)Oc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C24H23N5O3/c1-15(2)32-20-6-4-3-5-19(20)29-10-9-16-13-17(7-8-18(16)29)28-11-12-31-23-21(24(28)30)22(25)26-14-27-23/h3-10,13-15H,11-12H2,1-2H3,(H2,25,26,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.70n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321152
PNG
(US10174049, Example 19 | US9738658, Example 19)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12
Show InChI InChI=1S/C25H24N6O3/c26-22-21-24(29-15-28-22)33-12-11-30(25(21)32)17-13-16-9-10-31(23(16)27-14-17)19-7-3-4-8-20(19)34-18-5-1-2-6-18/h3-4,7-10,13-15,18H,1-2,5-6,11-12H2,(H2,26,28,29)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 11.2n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321144
PNG
(US10174049, Example 11 | US9738658, Example 11)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C20H14Cl2N6O2/c21-12-6-13(22)8-14(7-12)27-2-1-11-5-15(9-24-18(11)27)28-3-4-30-19-16(20(28)29)17(23)25-10-26-19/h1-2,5-10H,3-4H2,(H2,23,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13.3n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321147
PNG
(US10174049, Example 14 | US9738658, Example 14)
Show SMILES Cc1ccc(cn1)-n1ccc2cc(cnc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C20H17N7O2/c1-12-2-3-14(9-22-12)26-5-4-13-8-15(10-23-18(13)26)27-6-7-29-19-16(20(27)28)17(21)24-11-25-19/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14.5n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321164
PNG
(US10174049, Example 31 | US9738658, Example 31)
Show SMILES COc1nc(C)ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H20N6O3/c1-13-3-5-17(20(26-13)30-2)28-8-7-14-11-15(4-6-16(14)28)27-9-10-31-21-18(22(27)29)19(23)24-12-25-21/h3-8,11-12H,9-10H2,1-2H3,(H2,23,24,25)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14.6n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321136
PNG
(US10174049, Example 3 | US9738658, Example 3)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)C3CCC3)C(=O)c12
Show InChI InChI=1S/C18H18N6O2/c19-15-14-17(22-10-21-15)26-7-6-24(18(14)25)13-8-11-4-5-23(12-2-1-3-12)16(11)20-9-13/h4-5,8-10,12H,1-3,6-7H2,(H2,19,21,22)
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n/an/a 14.7n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321167
PNG
(US10174049, Example 34 | US9738658, Example 34)
Show SMILES Cc1cnc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C20H17N7O2/c1-12-9-23-16(10-22-12)27-5-4-13-8-14(2-3-15(13)27)26-6-7-29-19-17(20(26)28)18(21)24-11-25-19/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336141
PNG
(US9738658, Example 23)
Show SMILES COc1ccccc1-n1ccc2cc(cc(NC(=O)C3CC3)c12)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1c(Cl)ncnc1Cl
Show InChI InChI=1S/C32H37Cl2N5O4Si/c1-32(2,3)44(5,6)43-16-15-38(31(41)26-28(33)35-19-36-29(26)34)22-17-21-13-14-39(24-9-7-8-10-25(24)42-4)27(21)23(18-22)37-30(40)20-11-12-20/h7-10,13-14,17-20H,11-12,15-16H2,1-6H3,(H,37,40)
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n/an/a 16.1n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336139
PNG
(US9738658, Example 21)
Show SMILES Cc1nnc(o1)-n1ccc2cc(ccc12)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H30Cl2N4O3Si/c1-17-29-30-25(35-17)32-13-12-18-16-19(10-11-22(18)32)31(14-15-34-36(5,6)26(2,3)4)24(33)23-20(27)8-7-9-21(23)28/h7-13,16H,14-15H2,1-6H3
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n/an/a 16.3n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321151
PNG
(US10174049, Example 18 | US9738658, Example 18)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3ccccc3O)C(=O)c12
Show InChI InChI=1S/C20H16N6O3/c21-17-16-19(24-11-23-17)29-8-7-25(20(16)28)13-9-12-5-6-26(18(12)22-10-13)14-3-1-2-4-15(14)27/h1-6,9-11,27H,7-8H2,(H2,21,23,24)
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n/an/a 24.1n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321139
PNG
(US10174049, Example 6 | US9738658, Example 6)
Show SMILES COc1cc(ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N5O3/c1-33-18-11-14(23(24,25)26)2-4-17(18)31-7-6-13-10-15(3-5-16(13)31)30-8-9-34-21-19(22(30)32)20(27)28-12-29-21/h2-7,10-12H,8-9H2,1H3,(H2,27,28,29)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321137
PNG
(US10174049, Example 4 | US9738658, Example 4)
Show SMILES CC(C)(O)Cn1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C19H21N5O3/c1-19(2,26)10-23-6-5-12-9-13(3-4-14(12)23)24-7-8-27-17-15(18(24)25)16(20)21-11-22-17/h3-6,9,11,26H,7-8,10H2,1-2H3,(H2,20,21,22)
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n/an/a 31.3n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321165
PNG
(US10174049, Example 32 | US9738658, Example 32)
Show SMILES COc1ncc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C20H17N7O3/c1-29-20-22-9-14(10-23-20)26-5-4-12-8-13(2-3-15(12)26)27-6-7-30-18-16(19(27)28)17(21)24-11-25-18/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)
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n/an/a 38.1n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336119
PNG
(US9738658, Example 1)
Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)C3COC3)C(=O)c12
Show InChI InChI=1S/C17H16N6O3/c18-14-13-16(21-9-20-14)26-4-3-23(17(13)24)11-5-10-1-2-22(12-7-25-8-12)15(10)19-6-11/h1-2,5-6,9,12H,3-4,7-8H2,(H2,18,20,21)
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n/an/a 39.1n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321160
PNG
(US10174049, Example 27 | US9738658, Example 27)
Show SMILES CCc1ncc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C21H19N7O2/c1-2-17-23-10-15(11-24-17)27-6-5-13-9-14(3-4-16(13)27)28-7-8-30-20-18(21(28)29)19(22)25-12-26-20/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
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n/an/a 49.7n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321168
PNG
(US10174049, Example 35 | US9738658, Example 35)
Show SMILES Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C18H16N8O2/c1-10-22-18(24-23-10)26-5-4-11-8-12(2-3-13(11)26)25-6-7-28-16-14(17(25)27)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)(H,22,23,24)
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n/an/a 75n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321157
PNG
(US10174049, Example 24 | US9738658, Example 24)
Show SMILES CC(C)n1ccc2cc(cc(N3CCOCC3)c12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H26N6O3/c1-14(2)27-4-3-15-11-16(12-17(19(15)27)26-5-8-30-9-6-26)28-7-10-31-21-18(22(28)29)20(23)24-13-25-21/h3-4,11-14H,5-10H2,1-2H3,(H2,23,24,25)
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n/an/a 82.2n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM321158
PNG
(US10174049, Example 25 | US9738658, Example 25)
Show SMILES CC(C)n1ccc2cc(cc(NC(=O)C3CC3)c12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C22H24N6O3/c1-12(2)27-6-5-14-9-15(10-16(18(14)27)26-20(29)13-3-4-13)28-7-8-31-21-17(22(28)30)19(23)24-11-25-21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,26,29)(H2,23,24,25)
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n/an/a 93n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
hdgat le


(Homo sapiens (Human))
BDBM336131
PNG
(US9738658, Example 13)
Show SMILES Cc1ncc(cn1)-n1ccc2cc(ccc12)N(CCO[Si](C)(C)C(C)(C)C)C(=O)c1c(Cl)ncnc1Cl
Show InChI InChI=1S/C26H30Cl2N6O2Si/c1-17-29-14-20(15-30-17)33-10-9-18-13-19(7-8-21(18)33)34(11-12-36-37(5,6)26(2,3)4)25(35)22-23(27)31-16-32-24(22)28/h7-10,13-16H,11-12H2,1-6H3
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n/an/a 101n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%