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Compile Data Set for Download or QSAR

Found 20 hits of ec50 for UniProtKB: P19711   
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
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408642
PNG
(US10376502, Entry 9)
Show SMILES CC(C)(C)CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C24H46N2O5/c1-24(2,3)15-21(29)26(18-11-7-6-8-12-18)14-10-5-4-9-13-25-16-20(28)23(31)22(30)19(25)17-27/h18-20,22-23,27-28,30-31H,4-17H2,1-3H3/t19-,20+,22-,23-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408635
PNG
(US10376502, Entry 3)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C23H44N2O5/c1-23(2,3)22(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,4-16H2,1-3H3/t18-,19+,20-,21-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



TBA

US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408639
PNG
(US10376502, Entry 7)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C23H36F2N2O5/c1-23(2,3)22(32)27(17-9-8-15(24)12-16(17)25)11-7-5-4-6-10-26-13-19(29)21(31)20(30)18(26)14-28/h8-9,12,18-21,28-31H,4-7,10-11,13-14H2,1-3H3/t18-,19+,20-,21-/m1/s1
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Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408654
PNG
(US10376502, Entry 19)
Show SMILES CC(C)(C)NS(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C22H45N3O5S/c1-22(2,3)23-31(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,23,26-29H,4-16H2,1-3H3/t18-,19+,20-,21-,31?/m1/s1
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Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408652
PNG
(US10376502, Entry 17)
Show SMILES CC(C)(C)S(=O)(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C22H44N2O6S/c1-22(2,3)31(29,30)24(17-11-7-6-8-12-17)14-10-5-4-9-13-23-15-19(26)21(28)20(27)18(23)16-25/h17-21,25-28H,4-16H2,1-3H3/t18-,19+,20-,21-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408655
PNG
(US10376502, Entry 20)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCN(C1CCCCC1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H40N2O5/c28-18-21-23(30)24(31)22(29)17-26(21)15-9-1-2-10-16-27(20-13-7-4-8-14-20)25(32)19-11-5-3-6-12-19/h3,5-6,11-12,20-24,28-31H,1-2,4,7-10,13-18H2/t21-,22+,23-,24-/m1/s1
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Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408638
PNG
(US10376502, Entry 6)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C23H36F2N2O5/c1-23(2,3)22(32)27(17-12-15(24)8-9-16(17)25)11-7-5-4-6-10-26-13-19(29)21(31)20(30)18(26)14-28/h8-9,12,18-21,28-31H,4-7,10-11,13-14H2,1-3H3/t18-,19+,20-,21-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408615
PNG
(US10376502, Entry 1)
Show SMILES CC1CCCCC1N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H46N2O6/c1-17-11-7-8-12-18(17)26(23(31)32-24(2,3)4)14-10-6-5-9-13-25-15-20(28)22(30)21(29)19(25)16-27/h17-22,27-30H,5-16H2,1-4H3/t17?,18?,19-,20+,21-,22-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408648
PNG
(US10376502, Entry 13)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCCC1 |r|
Show InChI InChI=1S/C24H46N2O5/c1-24(2,3)23(31)26(18-12-8-4-5-9-13-18)15-11-7-6-10-14-25-16-20(28)22(30)21(29)19(25)17-27/h18-22,27-30H,4-17H2,1-3H3/t19-,20+,21-,22-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408640
PNG
(US10376502, Entry 8)
Show SMILES CC(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C22H42N2O5/c1-16(2)22(29)24(17-10-6-5-7-11-17)13-9-4-3-8-12-23-14-19(26)21(28)20(27)18(23)15-25/h16-21,25-28H,3-15H2,1-2H3/t18-,19+,20-,21-/m1/s1
PDB

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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408653
PNG
(US10376502, Entry 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCN(C1CCCCC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H40N2O6S/c27-18-21-23(29)24(30)22(28)17-25(21)15-9-1-2-10-16-26(19-11-5-3-6-12-19)33(31,32)20-13-7-4-8-14-20/h4,7-8,13-14,19,21-24,27-30H,1-3,5-6,9-12,15-18H2/t21-,22+,23-,24-/m1/s1
PDB

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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408644
PNG
(US10376502, Entry 11)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCC1 |r|
Show InChI InChI=1S/C21H40N2O5/c1-21(2,3)20(28)23(15-9-8-10-15)12-7-5-4-6-11-22-13-17(25)19(27)18(26)16(22)14-24/h15-19,24-27H,4-14H2,1-3H3/t16-,17+,18-,19-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408645
PNG
(US10376502, Entry 12)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCC1 |r|
Show InChI InChI=1S/C22H42N2O5/c1-22(2,3)21(29)24(16-10-6-7-11-16)13-9-5-4-8-12-23-14-18(26)20(28)19(27)17(23)15-25/h16-20,25-28H,4-15H2,1-3H3/t17-,18+,19-,20-/m1/s1
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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408650
PNG
(US10376502, Entry 15)
Show SMILES CC(C)(C)C(=O)Nc1cccc(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1 |r|
Show InChI InChI=1S/C20H32N2O5/c1-20(2,3)19(27)21-14-8-4-6-13(10-14)7-5-9-22-11-16(24)18(26)17(25)15(22)12-23/h4,6,8,10,15-18,23-26H,5,7,9,11-12H2,1-3H3,(H,21,27)/t15-,16+,17-,18-/m1/s1
PDB

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n/an/an/an/a 2.40E+3n/an/an/an/a



TBA

US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408643
PNG
(US10376502, Entry 10)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CC1 |r|
Show InChI InChI=1S/C20H38N2O5/c1-20(2,3)19(27)22(14-8-9-14)11-7-5-4-6-10-21-12-16(24)18(26)17(25)15(21)13-23/h14-18,23-26H,4-13H2,1-3H3/t15-,16+,17-,18-/m1/s1
PDB

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n/an/an/an/a 3.75E+3n/an/an/an/a



TBA

US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408636
PNG
(US10376502, Entry 4)
Show SMILES CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H30F2N2O5/c1-13(26)24(16-10-14(21)6-7-15(16)22)9-5-3-2-4-8-23-11-18(27)20(29)19(28)17(23)12-25/h6-7,10,17-20,25,27-29H,2-5,8-9,11-12H2,1H3/t17-,18+,19-,20-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408637
PNG
(US10376502, Entry 5)
Show SMILES CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C20H30F2N2O5/c1-13(26)24(16-7-6-14(21)10-15(16)22)9-5-3-2-4-8-23-11-18(27)20(29)19(28)17(23)12-25/h6-7,10,17-20,25,27-29H,2-5,8-9,11-12H2,1H3/t17-,18+,19-,20-/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408649
PNG
(US10376502, Entry 14)
Show SMILES CC(C)(C)C(=O)N(CCCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 |r|
Show InChI InChI=1S/C23H44N2O5/c1-23(2,3)22(30)24(17-11-7-6-8-12-17)13-9-4-5-10-14-25-18(15-26)20(28)21(29)19(25)16-27/h17-21,26-29H,4-16H2,1-3H3/t18-,19-,20-,21-/m1/s1
PDB

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n/an/an/an/a 2.10E+4n/an/an/an/a



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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408651
PNG
(US10376502, Entry 16)
Show SMILES CC(C)(C)C(=O)Nc1ccc(CCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C20H32N2O5/c1-20(2,3)19(27)21-14-8-6-13(7-9-14)5-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h6-9,15-18,23-26H,4-5,10-12H2,1-3H3,(H,21,27)/t15-,16+,17-,18-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair
Genome polyprotein


(Bovine viral diarrhea virus (isolate NADL) (BVDV) ...)		BDBM408634
PNG
(US10376502, Entry 2)
Show SMILES CC1CCCCC1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C19H38N2O4/c1-14-8-4-5-9-15(14)20-10-6-2-3-7-11-21-12-17(23)19(25)18(24)16(21)13-22/h14-20,22-25H,2-13H2,1H3/t14?,15?,16-,17+,18-,19-/m1/s1
PDB

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n/an/an/an/a 1.00E+5n/an/an/an/a



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US Patent


Assay Description
To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 μM to 100 ...

US Patent US10376502 (2019)


BindingDB Entry DOI: 10.7270/Q22B91CF
More data for this
Ligand-Target Pair