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Patent code US9694024

Compile Data Set for Download or QSAR
Found 17 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
Gag-Pol polyprotein [588-1147,K652R,M771V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,N654N,K657R,T802F,K807E]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,V662I,F664L,F703Y,Q738M,M771V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,T656S,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77092
PNG
(CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exali...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,K652R,M771V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a 5.39E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,T656S,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a>6.47E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,V662I,F664L,F703Y,Q738M,M771V]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a>6.49E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,N654N,K657R,T802F,K807E]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a 6.52E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1147,M628L,D654N,M771V,L797W,T802Y]


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77145
PNG
(9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)ph...)
Show SMILES CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Show InChI InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
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n/an/a>8.51E+3n/an/an/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucle...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77108
PNG
(CMX157-220)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCC(O)=O |r|
Show InChI InChI=1S/C16H26N5O7P/c1-12(8-21-10-20-14-15(17)18-9-19-16(14)21)27-11-29(24,25)28-7-3-6-26-5-2-4-13(22)23/h9-10,12H,2-8,11H2,1H3,(H,22,23)(H,24,25)(H2,17,18,19)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77097
PNG
(CMX157-210)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCO |r|
Show InChI InChI=1S/C12H20N5O5P/c1-9(21-8-23(19,20)22-4-2-3-18)5-17-7-16-10-11(13)14-6-15-12(10)17/h6-7,9,18H,2-5,8H2,1H3,(H,19,20)(H2,13,14,15)/t9-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77105
PNG
(CMX157-211)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCC(O)=O |r|
Show InChI InChI=1S/C14H22N5O7P/c1-10(5-19-8-18-12-13(15)16-7-17-14(12)19)25-9-27(22,23)26-4-2-3-24-6-11(20)21/h7-8,10H,2-6,9H2,1H3,(H,20,21)(H,22,23)(H2,15,16,17)/t10-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM77141
PNG
(CMX157 ion)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/p-1/t25-/m1/s1
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n/an/an/an/a<30n/an/an/an/a



Chimerix, Inc.

US Patent


Assay Description
The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtype...

US Patent US9694024 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7DRT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%