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USPatent US10093673

Compile data set for download or QSAR
Found 15 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
Large envelope protein


(Hepatitis B virus)		BDBM289769
PNG
(US10093673, Compound 1.1)
Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 0.100n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289780
PNG
(US10093673, Compound 7.2)
Show SMILES COCCCOc1cc2[C@@H]3OCC(C)(C)C3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r|
Show InChI InChI=1S/C23H26FNO7/c1-23(2)11-32-20-13-9-16(31-7-5-6-29-3)15(30-4)8-12(13)18-17(24)19(26)14(22(27)28)10-25(18)21(20)23/h8-10,20-21H,5-7,11H2,1-4H3,(H,27,28)/t20-,21?/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a 90n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289775
PNG
(US10093673, Compound 5.1)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl |r|
Show InChI InChI=1S/C23H26ClNO5/c1-23(2)6-5-13-14-10-20(30-8-4-7-29-3)17(24)9-15(14)18-11-19(26)16(22(27)28)12-25(18)21(13)23/h9-13,21H,4-8H2,1-3H3,(H,27,28)/t13-,21+/m0/s1
PDB

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US Patent
n/an/an/an/a 6n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289779
PNG
(US10093673, Compound 7.1)
Show SMILES COCCCOc1cc2[C@H]3OCC(C)(C)C3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r|
Show InChI InChI=1S/C23H26FNO7/c1-23(2)11-32-20-13-9-16(31-7-5-6-29-3)15(30-4)8-12(13)18-17(24)19(26)14(22(27)28)10-25(18)21(20)23/h8-10,20-21H,5-7,11H2,1-4H3,(H,27,28)/t20-,21?/m1/s1
PDB

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n/an/an/an/a 0.800n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM246810
PNG
(US10053461, 1 | US10093673, Compound rac-2 | trans...)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22-/m0/s1
PDB

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n/an/an/an/a 460n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM246811
PNG
(US10053461, 2 | US10093673, Compound 1.2 | cis-10-...)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m0/s1
PDB

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n/an/an/an/a 13n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289777
PNG
(US10093673, Compound 6.1 | US10093673, Compound 6....)
Show SMILES COCCCOc1cc2C3CCCC3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO6/c1-27-7-4-8-29-21-9-14-13-5-3-6-17(13)23-12-16(22(25)26)19(24)11-18(23)15(14)10-20(21)28-2/h9-13,17H,3-8H2,1-2H3,(H,25,26)
PDB

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n/an/an/an/a 5n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289781
PNG
(US10093673, Compound 8.1)
Show SMILES COCCCOc1cc2[C@H]3COC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C23H27NO7/c1-23(2)21-16(12-31-23)13-8-20(30-7-5-6-28-3)19(29-4)9-14(13)17-10-18(25)15(22(26)27)11-24(17)21/h8-11,16,21H,5-7,12H2,1-4H3,(H,26,27)/t16-,21?/m1/s1
PDB

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n/an/an/an/a 1n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289782
PNG
(US10093673, Compound 9.1 | US10093673, Compound 9....)
Show SMILES COCCCOc1cc2C3CCCC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C25H31NO6/c1-25(2)8-5-7-15-16-11-22(32-10-6-9-30-3)21(31-4)12-17(16)19-13-20(27)18(24(28)29)14-26(19)23(15)25/h11-15,23H,5-10H2,1-4H3,(H,28,29)
PDB

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US Patent
n/an/an/an/a 9n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289782
PNG
(US10093673, Compound 9.1 | US10093673, Compound 9....)
Show SMILES COCCCOc1cc2C3CCCC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C25H31NO6/c1-25(2)8-5-7-15-16-11-22(32-10-6-9-30-3)21(31-4)12-17(16)19-13-20(27)18(24(28)29)14-26(19)23(15)25/h11-15,23H,5-10H2,1-4H3,(H,28,29)
PDB

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UniChem
US Patent
n/an/an/an/a 303n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289774
PNG
(US10093673, Compound 4.1)
Show SMILES COCCCOc1cc2[C@H]3OCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C23H27NO7/c1-23(2)12-31-20-14-9-19(30-7-5-6-28-3)18(29-4)8-13(14)16-10-17(25)15(22(26)27)11-24(16)21(20)23/h8-11,20-21H,5-7,12H2,1-4H3,(H,26,27)/t20-,21+/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 0.300n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289776
PNG
(US10093673, Compound 5.2)
Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl |r|
Show InChI InChI=1S/C23H26ClNO5/c1-23(2)6-5-13-14-10-20(30-8-4-7-29-3)17(24)9-15(14)18-11-19(26)16(22(27)28)12-25(18)21(13)23/h9-13,21H,4-8H2,1-3H3,(H,27,28)/t13-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.100n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289777
PNG
(US10093673, Compound 6.1 | US10093673, Compound 6....)
Show SMILES COCCCOc1cc2C3CCCC3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO6/c1-27-7-4-8-29-21-9-14-13-5-3-6-17(13)23-12-16(22(25)26)19(24)11-18(23)15(14)10-20(21)28-2/h9-13,17H,3-8H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 9n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289773
PNG
(US10093673, Compound 3.2)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@@H]3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r|
Show InChI InChI=1S/C24H28FNO6/c1-24(2)7-6-13-14-10-18(32-9-5-8-30-3)17(31-4)11-15(14)20-19(25)21(27)16(23(28)29)12-26(20)22(13)24/h10-13,22H,5-9H2,1-4H3,(H,28,29)/t13-,22+/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 740n/an/an/an/a



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)		BDBM289772
PNG
(US10093673, Compound 3.1)
Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r|
Show InChI InChI=1S/C24H28FNO6/c1-24(2)7-6-13-14-10-18(32-9-5-8-30-3)17(31-4)11-15(14)20-19(25)21(27)16(23(28)29)12-26(20)22(13)24/h10-13,22H,5-9H2,1-4H3,(H,28,29)/t13-,22+/m1/s1
PDB

UniProtKB/SwissProt

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



Novartis AG

US Patent


Assay Description
HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...

US Patent US10093673 (2018)


BindingDB Entry DOI: 10.7270/Q2WH2S21
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%