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Compile Data Set for Download or QSAR

Found 12 hits of ec50 for UniProtKB: P04578   
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
HIV-1 B HXB2-LAI-IIIB-BRU


(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
HIV-1 B HXB2-LAI-IIIB-BRU


(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=1/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-/s2
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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
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235034
PNG
(2-(((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C#Cc1ccccc1C(O)=O |r,t:18|
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n/an/an/an/a 80n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235036
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)c1nnco1 |r,t:18|
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n/an/an/an/a>100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235039
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(1-...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)c1ncn(CCN2CCS(=O)(=O)CC2)n1 |r,t:18|
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n/an/an/an/a>100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235038
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)c1nc[nH]n1 |r,t:18|
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n/an/an/an/a>100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235040
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)c1ncnn1C |r,t:18|
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n/an/an/an/a>100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235035
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13 aR,13bR)-3a-((...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C#Cc1ccsc1-c1nnn[nH]1 |r,t:18|
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n/an/an/an/a<100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
Envelope polyprotein GP160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM235037
PNG
(4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13 aR,13bR)-3a-(5...)
Show SMILES CN(C)Cc1nnc(o1)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(c5ccc(cc5)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r,t:23|
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n/an/an/an/a>100n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent




US Patent US10047118 (2018)


BindingDB Entry DOI: 10.7270/Q24J0H4C
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(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=1/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-/s2
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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
HIV-1 B HXB2-LAI-IIIB-BRU


(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=1/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-/s2
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US Patent
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
HIV-1 B HXB2-LAI-IIIB-BRU


(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=1/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-/s2
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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