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USPatent US10112911

Compile data set for download or QSAR
Found 75 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
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294914
PNG
(US10112911, Example 1.6)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C23H26N6S/c1-16(2)20-14-28(23-27-19-10-6-7-11-21(19)30-23)12-13-29(20)22(25-15-24)26-18-9-5-4-8-17(18)3/h4-11,16,20H,12-14H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.59E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294959
PNG
(US10112911, Example 1.24)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(cc1)C(F)(F)F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H24F3N7/c1-16(2)21-14-33(22-13-29-19-5-3-4-6-20(19)32-22)11-12-34(21)23(30-15-28)31-18-9-7-17(8-10-18)24(25,26)27/h3-10,13,16,21H,11-12,14H2,1-2H3,(H,30,31)
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n/an/an/an/a>6.68E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294970
PNG
(US10112911, Example 1.35)
Show SMILES CC(C)C1CN(CCN1\C(NCc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18(2)23-16-31(24-15-27-21-10-6-7-11-22(21)30-24)12-13-32(23)25(29-17-26)28-14-20-9-5-4-8-19(20)3/h4-11,15,18,23H,12-14,16H2,1-3H3,(H,28,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294971
PNG
(US10112911, Example 1.36)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cc(nn1C)C(C)(C)C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H33N9/c1-17(2)20-15-33(23-14-27-18-9-7-8-10-19(18)29-23)11-12-34(20)24(28-16-26)30-22-13-21(25(3,4)5)31-32(22)6/h7-10,13-14,17,20H,11-12,15H2,1-6H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294973
PNG
(US10112911, Example 1.38)
Show SMILES CC(C)CC1CN(CCN1\C(Nc1cccc(C)c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18(2)13-21-16-31(24-15-27-22-9-4-5-10-23(22)30-24)11-12-32(21)25(28-17-26)29-20-8-6-7-19(3)14-20/h4-10,14-15,18,21H,11-13,16H2,1-3H3,(H,28,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294974
PNG
(US10112911, Example 1.39)
Show SMILES CC(C)CC1CN(CCN1\C(Nc1ccccc1F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-17(2)13-18-15-31(23-14-27-21-9-5-6-10-22(21)29-23)11-12-32(18)24(28-16-26)30-20-8-4-3-7-19(20)25/h3-10,14,17-18H,11-13,15H2,1-2H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294980
PNG
(US10112911, Example 1.45)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC11CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H23N7/c1-17-6-2-3-7-18(17)28-22(26-16-24)30-13-12-29(15-23(30)10-11-23)21-14-25-19-8-4-5-9-20(19)27-21/h2-9,14H,10-13,15H2,1H3,(H,26,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294983
PNG
(US10112911, Example 1.48)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC1C1CCCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H31N7/c1-20-9-5-6-12-22(20)32-27(30-19-28)34-16-15-33(18-25(34)21-10-3-2-4-11-21)26-17-29-23-13-7-8-14-24(23)31-26/h5-9,12-14,17,21,25H,2-4,10-11,15-16,18H2,1H3,(H,30,32)
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n/an/an/an/a 1.34E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294992
PNG
(US10112911, Example 1.58)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(Cl)c(Cl)cc2n1
Show InChI InChI=1S/C24H25Cl2N7/c1-15(2)22-13-32(23-12-28-20-10-17(25)18(26)11-21(20)30-23)8-9-33(22)24(29-14-27)31-19-7-5-4-6-16(19)3/h4-7,10-12,15,22H,8-9,13H2,1-3H3,(H,29,31)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295006
PNG
(N′-cyano-2-isopropyl-N-(2-methylpyridin-3-yl...)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccnc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H26N8/c1-16(2)21-14-30(22-13-26-19-7-4-5-8-20(19)28-22)11-12-31(21)23(27-15-24)29-18-9-6-10-25-17(18)3/h4-10,13,16,21H,11-12,14H2,1-3H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294859
PNG
(US10112911, Example 1.3)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-14-26-20-10-6-7-11-21(20)28-23)12-13-31(22)24(27-16-25)29-19-9-5-4-8-18(19)3/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294878
PNG
(US10112911, Example 1.4)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2o1
Show InChI InChI=1S/C23H26N6O/c1-16(2)20-14-28(23-27-19-10-6-7-11-21(19)30-23)12-13-29(20)22(25-15-24)26-18-9-5-4-8-17(18)3/h4-11,16,20H,12-14H2,1-3H3,(H,25,26)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294951
PNG
(US10112911, Example 1.16)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(C)cc1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-14-26-20-6-4-5-7-21(20)29-23)12-13-31(22)24(27-16-25)28-19-10-8-18(3)9-11-19/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294962
PNG
(US10112911, Example 1.27)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1OC(F)(F)F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H24F3N7O/c1-16(2)20-14-33(22-13-29-17-7-3-4-8-18(17)31-22)11-12-34(20)23(30-15-28)32-19-9-5-6-10-21(19)35-24(25,26)27/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,30,32)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294966
PNG
(US10112911, Example 1.31)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cc(F)ccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-19-6-4-5-7-20(19)29-23)10-11-32(22)24(28-15-26)30-21-12-18(25)9-8-17(21)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294975
PNG
(US10112911, Example 1.40)
Show SMILES CC(C)CC1CN(CCN1\C(Nc1cccc(F)c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-17(2)12-20-15-31(23-14-27-21-8-3-4-9-22(21)30-23)10-11-32(20)24(28-16-26)29-19-7-5-6-18(25)13-19/h3-9,13-14,17,20H,10-12,15H2,1-2H3,(H,28,29)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294976
PNG
(US10112911, Example 1.41)
Show SMILES CC(C)CC1CN(CCN1\C(Nc1ccccc1Cl)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26ClN7/c1-17(2)13-18-15-31(23-14-27-21-9-5-6-10-22(21)29-23)11-12-32(18)24(28-16-26)30-20-8-4-3-7-19(20)25/h3-10,14,17-18H,11-13,15H2,1-2H3,(H,28,30)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294981
PNG
(US10112911, Example 1.46)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC1C(C)(C)C)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18-9-5-6-10-19(18)30-24(28-17-26)32-14-13-31(16-22(32)25(2,3)4)23-15-27-20-11-7-8-12-21(20)29-23/h5-12,15,22H,13-14,16H2,1-4H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294986
PNG
(US10112911, Example 1.51)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(F)c(F)cc2n1
Show InChI InChI=1S/C24H25F2N7/c1-15(2)22-13-32(23-12-28-20-10-17(25)18(26)11-21(20)30-23)8-9-33(22)24(29-14-27)31-19-7-5-4-6-16(19)3/h4-7,10-12,15,22H,8-9,13H2,1-3H3,(H,29,31)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294991
PNG
(US10112911, Example 1.57)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(ccc2n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7/c1-16(2)22-14-34(23-13-30-21-12-18(25(26,27)28)8-9-20(21)32-23)10-11-35(22)24(31-15-29)33-19-7-5-4-6-17(19)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,31,33)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294993
PNG
(US10112911, Example 1.59)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cccc(c2n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7/c1-16(2)21-14-34(22-13-30-20-10-6-8-18(23(20)33-22)25(26,27)28)11-12-35(21)24(31-15-29)32-19-9-5-4-7-17(19)3/h4-10,13,16,21H,11-12,14H2,1-3H3,(H,31,32)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294994
PNG
(US10112911, Example 1.60)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccc(F)cc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-20-9-8-18(25)12-21(20)29-23)10-11-32(22)24(28-15-26)30-19-7-5-4-6-17(19)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,28,30)
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n/an/an/an/a 1.05E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294997
PNG
(US10112911, Example 1.63)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cncc(n1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O/c1-18(2)21-16-31(23-15-26-14-22(29-23)30-10-12-33-13-11-30)8-9-32(21)24(27-17-25)28-20-7-5-4-6-19(20)3/h4-7,14-15,18,21H,8-13,16H2,1-3H3,(H,27,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294947
PNG
(US10112911, Example 1.12)
Show SMILES CC(C)[C@@H]1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-14-26-20-10-6-7-11-21(20)28-23)12-13-31(22)24(27-16-25)29-19-9-5-4-8-18(19)3/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,29)/t22-/m0/s1
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294957
PNG
(US10112911, Example 1.22)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccc(C)c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-14-26-20-9-4-5-10-21(20)29-23)11-12-31(22)24(27-16-25)28-19-8-6-7-18(3)13-19/h4-10,13-14,17,22H,11-12,15H2,1-3H3,(H,27,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294960
PNG
(US10112911, Example 1.25)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccc(c1)C(F)(F)F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H24F3N7/c1-16(2)21-14-33(22-13-29-19-8-3-4-9-20(19)32-22)10-11-34(21)23(30-15-28)31-18-7-5-6-17(12-18)24(25,26)27/h3-9,12-13,16,21H,10-11,14H2,1-2H3,(H,30,31)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294977
PNG
(US10112911, Example 1.42)
Show SMILES CC1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C22H23N7/c1-16-7-3-4-8-18(16)27-22(25-15-23)29-12-11-28(14-17(29)2)21-13-24-19-9-5-6-10-20(19)26-21/h3-10,13,17H,11-12,14H2,1-2H3,(H,25,27)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294984
PNG
(US10112911, Example 1.49)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC1CC1CCCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H33N7/c1-21-9-5-6-12-24(21)33-28(31-20-29)35-16-15-34(19-23(35)17-22-10-3-2-4-11-22)27-18-30-25-13-7-8-14-26(25)32-27/h5-9,12-14,18,22-23H,2-4,10-11,15-17,19H2,1H3,(H,31,33)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294987
PNG
(US10112911, Example 1.52)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2nc1C
Show InChI InChI=1S/C25H29N7/c1-17(2)23-15-31(24-19(4)28-21-11-7-8-12-22(21)29-24)13-14-32(23)25(27-16-26)30-20-10-6-5-9-18(20)3/h5-12,17,23H,13-15H2,1-4H3,(H,27,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295002
PNG
(US10112911, Example 1.68)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ccc2ccc(C)nc2n1
Show InChI InChI=1S/C25H29N7/c1-17(2)22-15-31(23-12-11-20-10-9-19(4)28-24(20)30-23)13-14-32(22)25(27-16-26)29-21-8-6-5-7-18(21)3/h5-12,17,22H,13-15H2,1-4H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294950
PNG
(US10112911, Example 1.15)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(Cl)cc1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-14-30(22-13-26-19-5-3-4-6-20(19)29-22)11-12-31(21)23(27-15-25)28-18-9-7-17(24)8-10-18/h3-10,13,16,21H,11-12,14H2,1-2H3,(H,27,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294958
PNG
(US10112911, Example 1.23)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(F)cc1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24FN7/c1-16(2)21-14-30(22-13-26-19-5-3-4-6-20(19)29-22)11-12-31(21)23(27-15-25)28-18-9-7-17(24)8-10-18/h3-10,13,16,21H,11-12,14H2,1-2H3,(H,27,28)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294961
PNG
(US10112911, Example 1.26)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C(C)C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H31N7/c1-18(2)20-9-5-6-10-21(20)31-26(29-17-27)33-14-13-32(16-24(33)19(3)4)25-15-28-22-11-7-8-12-23(22)30-25/h5-12,15,18-19,24H,13-14,16H2,1-4H3,(H,29,31)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294963
PNG
(US10112911, Example 1.28)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccc(Cl)c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-14-30(22-13-26-19-8-3-4-9-20(19)29-22)10-11-31(21)23(27-15-25)28-18-7-5-6-17(24)12-18/h3-9,12-13,16,21H,10-11,14H2,1-2H3,(H,27,28)
PDB

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n/an/an/an/a 3.10E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294964
PNG
(US10112911, Example 1.29)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccc(F)c1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-20-8-4-5-9-21(20)29-23)11-12-32(22)24(28-15-26)30-19-10-6-7-18(25)17(19)3/h4-10,13,16,22H,11-12,14H2,1-3H3,(H,28,30)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294967
PNG
(US10112911, Example 1.32)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(F)cc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-20-6-4-5-7-21(20)29-23)10-11-32(22)24(28-15-26)30-19-9-8-18(25)12-17(19)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295004
PNG
(US10112911, Example 1.70)
Show SMILES CC(C)C1CN(CCN1c1cnc2ccccc2n1)C(\Nc1ccccc1C)=N/C#N
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(24(27-16-25)29-19-9-5-4-8-18(19)3)12-13-31(22)23-14-26-20-10-6-7-11-21(20)28-23/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295007
PNG
(N′-cyano-N-(2-methylphenyl)-4-(quinoxalin-2-...)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C21H21N7/c1-16-6-2-3-7-17(16)26-21(24-15-22)28-12-10-27(11-13-28)20-14-23-18-8-4-5-9-19(18)25-20/h2-9,14H,10-13H2,1H3,(H,24,26)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294857
PNG
(US10112911, Example 1.1)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nccnc1C#N
Show InChI InChI=1S/C21H24N8/c1-15(2)19-13-28(20-18(12-22)24-8-9-25-20)10-11-29(19)21(26-14-23)27-17-7-5-4-6-16(17)3/h4-9,15,19H,10-11,13H2,1-3H3,(H,26,27)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294858
PNG
(US10112911, Example 1.2)
Show SMILES COC(=O)c1cnc(cn1)N1CCN(C(C1)C(C)C)C(\Nc1ccccc1Cl)=N/C#N
Show InChI InChI=1S/C21H24ClN7O2/c1-14(2)18-12-28(19-11-24-17(10-25-19)20(30)31-3)8-9-29(18)21(26-13-23)27-16-7-5-4-6-15(16)22/h4-7,10-11,14,18H,8-9,12H2,1-3H3,(H,26,27)
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n/an/an/an/a 1.13E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294942
PNG
(US10112911, Example 1.7)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C24H28N6O/c1-16(2)21-14-29(24-28-20-13-17(3)9-10-22(20)31-24)11-12-30(21)23(26-15-25)27-19-8-6-5-7-18(19)4/h5-10,13,16,21H,11-12,14H2,1-4H3,(H,26,27)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294945
PNG
(US10112911, Example 1.10)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2c(=O)[nH]1
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294952
PNG
(US10112911, Example 1.17)
Show SMILES CC(C)C1CN(CCN1\C(Nc1c(C)cccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-17(2)22-15-31(23-14-27-20-10-5-6-11-21(20)29-23)12-13-32(22)25(28-16-26)30-24-18(3)8-7-9-19(24)4/h5-11,14,17,22H,12-13,15H2,1-4H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294972
PNG
(US10112911, Example 1.37)
Show SMILES CC(C)CC1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18(2)14-20-16-31(24-15-27-22-10-6-7-11-23(22)29-24)12-13-32(20)25(28-17-26)30-21-9-5-4-8-19(21)3/h4-11,15,18,20H,12-14,16H2,1-3H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294978
PNG
(US10112911, Example 1.43)
Show SMILES Cc1ccccc1N\C(=N\C#N)N1CCN(CC11CCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H25N7/c1-18-7-2-3-8-19(18)29-23(27-17-25)31-14-13-30(16-24(31)11-6-12-24)22-15-26-20-9-4-5-10-21(20)28-22/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294990
PNG
(US10112911, Example 1.56)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccc(C)cc2n1
Show InChI InChI=1S/C25H29N7/c1-17(2)23-15-31(24-14-27-21-10-9-18(3)13-22(21)29-24)11-12-32(23)25(28-16-26)30-20-8-6-5-7-19(20)4/h5-10,13-14,17,23H,11-12,15H2,1-4H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294913
PNG
(US10112911, Example 1.5)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2cccc(Cl)c2o1
Show InChI InChI=1S/C23H25ClN6O/c1-15(2)20-13-29(23-28-19-10-6-8-17(24)21(19)31-23)11-12-30(20)22(26-14-25)27-18-9-5-4-7-16(18)3/h4-10,15,20H,11-13H2,1-3H3,(H,26,27)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294944
PNG
(US10112911, Example 1.9)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2[nH]1
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294946
PNG
(US10112911, Example 1.11)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ncnc2[nH]ccc12
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294948
PNG
(US10112911, Example 1.13)
Show SMILES CC(C)[C@H]1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-14-26-20-10-6-7-11-21(20)28-23)12-13-31(22)24(27-16-25)29-19-9-5-4-8-18(19)3/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,29)/t22-/m1/s1
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294953
PNG
(US10112911, Example 1.18)
Show SMILES COc1ccccc1N\C(=N\C#N)N1CCN(CC1C(C)C)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H27N7O/c1-17(2)21-15-30(23-14-26-18-8-4-5-9-19(18)28-23)12-13-31(21)24(27-16-25)29-20-10-6-7-11-22(20)32-3/h4-11,14,17,21H,12-13,15H2,1-3H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294956
PNG
(US10112911, Example 1.21)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24FN7/c1-16(2)21-14-30(22-13-26-19-9-5-6-10-20(19)28-22)11-12-31(21)23(27-15-25)29-18-8-4-3-7-17(18)24/h3-10,13,16,21H,11-12,14H2,1-2H3,(H,27,29)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294965
PNG
(US10112911, Example 1.30)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc(F)cc1Cl)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H23ClFN7/c1-15(2)21-13-31(22-12-27-19-5-3-4-6-20(19)29-22)9-10-32(21)23(28-14-26)30-18-8-7-16(25)11-17(18)24/h3-8,11-12,15,21H,9-10,13H2,1-2H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294969
PNG
(US10112911, Example 1.34)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cc(F)c(F)cc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H25F2N7/c1-15(2)22-13-32(23-12-28-19-6-4-5-7-20(19)30-23)8-9-33(22)24(29-14-27)31-21-11-18(26)17(25)10-16(21)3/h4-7,10-12,15,22H,8-9,13H2,1-3H3,(H,29,31)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294979
PNG
(US10112911, Example 1.44)
Show SMILES CCC1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H25N7/c1-3-18-15-29(22-14-25-20-10-6-7-11-21(20)27-22)12-13-30(18)23(26-16-24)28-19-9-5-4-8-17(19)2/h4-11,14,18H,3,12-13,15H2,1-2H3,(H,26,28)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294982
PNG
(US10112911, Example 1.47)
Show SMILES CCC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-4-18(2)23-16-31(24-15-27-21-11-7-8-12-22(21)29-24)13-14-32(23)25(28-17-26)30-20-10-6-5-9-19(20)3/h5-12,15,18,23H,4,13-14,16H2,1-3H3,(H,28,30)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294996
PNG
(US10112911, Example 1.62)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ncc2ccccc2n1
Show InChI InChI=1S/C24H27N7/c1-17(2)22-15-30(23-26-14-19-9-5-7-11-21(19)29-23)12-13-31(22)24(27-16-25)28-20-10-6-4-8-18(20)3/h4-11,14,17,22H,12-13,15H2,1-3H3,(H,27,28)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294998
PNG
(US10112911, Example 1.64)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc(C)c(C)c(NC2CCCCC2)n1
Show InChI InChI=1S/C28H40N8/c1-19(2)25-17-35(15-16-36(25)27(30-18-29)33-24-14-10-9-11-20(24)3)28-31-22(5)21(4)26(34-28)32-23-12-7-6-8-13-23/h9-11,14,19,23,25H,6-8,12-13,15-17H2,1-5H3,(H,30,33)(H,31,32,34)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294999
PNG
(US10112911, Example 1.65)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ccc2nccnc2n1
Show InChI InChI=1S/C23H26N8/c1-16(2)20-14-30(21-9-8-19-22(29-21)26-11-10-25-19)12-13-31(20)23(27-15-24)28-18-7-5-4-6-17(18)3/h4-11,16,20H,12-14H2,1-3H3,(H,27,28)
PDB

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n/an/an/an/a 5.90E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295001
PNG
(US10112911, Example 1.67)
Show SMILES CC(C)[C@H]1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-21-12-18(25)8-9-20(21)29-23)10-11-32(22)24(28-15-26)30-19-7-5-4-6-17(19)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,28,30)/t22-/m1/s1
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295009
PNG
(2-cyano-1-(2-methylphenyl)-3-[3-methyl-1-(quinoxal...)
Show SMILES CC(C)C(CNc1cnc2ccccc2n1)N\C(Nc1ccccc1C)=N/C#N
Show InChI InChI=1S/C22H25N7/c1-15(2)20(12-25-21-13-24-18-10-6-7-11-19(18)27-21)29-22(26-14-23)28-17-9-5-4-8-16(17)3/h4-11,13,15,20H,12H2,1-3H3,(H,25,27)(H2,26,28,29)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294954
PNG
(US10112911, Example 1.19)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1Cl)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-14-30(22-13-26-19-9-5-6-10-20(19)28-22)11-12-31(21)23(27-15-25)29-18-8-4-3-7-17(18)24/h3-10,13,16,21H,11-12,14H2,1-2H3,(H,27,29)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294968
PNG
(US10112911, Example 1.33)
Show SMILES CC(C)C1CN(CCN1\C(Nc1c(C)cccc1F)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)21-14-31(22-13-27-19-9-4-5-10-20(19)29-22)11-12-32(21)24(28-15-26)30-23-17(3)7-6-8-18(23)25/h4-10,13,16,21H,11-12,14H2,1-3H3,(H,28,30)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294988
PNG
(US10112911, Example 1.53)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C25H26F3N7/c1-16(2)21-14-34(23-22(25(26,27)28)31-19-10-6-7-11-20(19)32-23)12-13-35(21)24(30-15-29)33-18-9-5-4-8-17(18)3/h4-11,16,21H,12-14H2,1-3H3,(H,30,33)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294989
PNG
(US10112911, Example 1.54)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(F)ccc2n1
Show InChI InChI=1S/C24H26FN7/c1-16(2)22-14-31(23-13-27-21-12-18(25)8-9-20(21)29-23)10-11-32(22)24(28-15-26)30-19-7-5-4-6-17(19)3/h4-9,12-13,16,22H,10-11,14H2,1-3H3,(H,28,30)
PDB

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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295000
PNG
(US10112911, Example 1.66)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ccc2cccnc2n1
Show InChI InChI=1S/C24H27N7/c1-17(2)21-15-30(22-11-10-19-8-6-12-26-23(19)29-22)13-14-31(21)24(27-16-25)28-20-9-5-4-7-18(20)3/h4-12,17,21H,13-15H2,1-3H3,(H,27,28)
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n/an/an/an/a 1.50E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295003
PNG
(US10112911, Example 1.69)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1)=N/C#N)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H27N7/c1-17(2)21-15-29(23-27-19-11-7-8-12-20(19)28(23)3)13-14-30(21)22(25-16-24)26-18-9-5-4-6-10-18/h4-12,17,21H,13-15H2,1-3H3,(H,25,26)
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n/an/an/an/a 2.99E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295005
PNG
(N′-cyano-2-isopropyl-N-(4-methylpyridin-3-yl...)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cnccc1C)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H26N8/c1-16(2)21-14-30(22-13-26-18-6-4-5-7-19(18)28-22)10-11-31(21)23(27-15-24)29-20-12-25-9-8-17(20)3/h4-9,12-13,16,21H,10-11,14H2,1-3H3,(H,27,29)
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n/an/an/an/a>5.37E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295010
PNG
(N′-cyano-7-isopropyl-N-(2-methylphenyl)-4-(q...)
Show SMILES CC(C)C1CCN(CCN1\C(Nc1ccccc1C)=N\C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18(2)23-12-13-31(24-16-27-21-10-6-7-11-22(21)29-24)14-15-32(23)25(28-17-26)30-20-9-5-4-8-19(20)3/h4-11,16,18,23H,12-15H2,1-3H3,(H,28,30)
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n/an/an/an/a>3.20E+4n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294943
PNG
(US10112911, Example 1.8)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ncnc2ccccc12
Show InChI InChI=1S/C24H27N7/c1-17(2)22-14-30(23-19-9-5-7-11-21(19)27-16-28-23)12-13-31(22)24(26-15-25)29-20-10-6-4-8-18(20)3/h4-11,16-17,22H,12-14H2,1-3H3,(H,26,29)
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n/an/an/an/a 450n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294949
PNG
(US10112911, Example 1.14)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccc2OCOc2c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H25N7O2/c1-16(2)20-13-30(23-12-26-18-5-3-4-6-19(18)29-23)9-10-31(20)24(27-14-25)28-17-7-8-21-22(11-17)33-15-32-21/h3-8,11-12,16,20H,9-10,13,15H2,1-2H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294955
PNG
(US10112911, Example 1.20)
Show SMILES CC(C)C1CN(CCN1\C(Nc1cccc(F)c1)=N/C#N)c1cnc2ccccc2n1
Show InChI InChI=1S/C23H24FN7/c1-16(2)21-14-30(22-13-26-19-8-3-4-9-20(19)29-22)10-11-31(21)23(27-15-25)28-18-7-5-6-17(24)12-18/h3-9,12-13,16,21H,10-11,14H2,1-2H3,(H,27,28)
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ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294985
PNG
(US10112911, Example 1.50)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1cnc2cc(C)c(C)cc2n1
Show InChI InChI=1S/C26H31N7/c1-17(2)24-15-32(25-14-28-22-12-19(4)20(5)13-23(22)30-25)10-11-33(24)26(29-16-27)31-21-9-7-6-8-18(21)3/h6-9,12-14,17,24H,10-11,15H2,1-5H3,(H,29,31)
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n/an/an/an/a>3.20E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM294995
PNG
(US10112911, Example 1.61)
Show SMILES CC(C)C1CN(CCN1\C(Nc1ccccc1C)=N/C#N)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H28N6/c1-18(2)23-16-30(24-13-12-20-9-5-7-11-22(20)28-24)14-15-31(23)25(27-17-26)29-21-10-6-4-8-19(21)3/h4-13,18,23H,14-16H2,1-3H3,(H,27,29)
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n/an/an/an/a>6.60E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM295008
PNG
(N′-cyano-2-isopropyl-N-methyl-N-(2-methylphe...)
Show SMILES CC(C)C1CN(CCN1\C(=N\C#N)N(C)c1ccccc1C)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H29N7/c1-18(2)23-16-31(24-15-27-20-10-6-7-11-21(20)29-24)13-14-32(23)25(28-17-26)30(4)22-12-8-5-9-19(22)3/h5-12,15,18,23H,13-14,16H2,1-4H3/b28-25+
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n/an/an/an/a 3.40E+3n/an/an/an/a



ABBVIE INC.

US Patent


Assay Description
A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus ...

US Patent US10112911 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B5R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%