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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'boojamra' and Initial = 'cg'   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
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/a 50n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
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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Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells


Bioorg Med Chem Lett 18: 1120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.125
BindingDB Entry DOI: 10.7270/Q24Q7XRS
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50013111
PNG
(1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl...)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O |r,c:9|
Show InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50018445
PNG
(1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)...)
Show SMILES Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50479807
PNG
(CHEMBL525256)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@](OCP(O)(O)=O)(C=C1)C#C |r,c:21|
Show InChI InChI=1S/C13H14N5O4P/c1-2-13(22-8-23(19,20)21)4-3-9(5-13)18-7-17-10-11(14)15-6-16-12(10)18/h1,3-4,6-7,9H,5,8H2,(H2,14,15,16)(H2,19,20,21)/t9-,13+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50366816
PNG
(ABACAVIR | Epzicom | Ziagen)
Show SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1 |r,c:18|
Show InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
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Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50450813
PNG
(Atripla | CHEBI:63625 | GS-1275 | PMP-A | Tenofovi...)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O |r|
Show InChI InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50450813
PNG
(Atripla | CHEBI:63625 | GS-1275 | PMP-A | Tenofovi...)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O |r|
Show InChI InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells


Bioorg Med Chem Lett 18: 1120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.125
BindingDB Entry DOI: 10.7270/Q24Q7XRS
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50450813
PNG
(Atripla | CHEBI:63625 | GS-1275 | PMP-A | Tenofovi...)
Show SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O |r|
Show InChI InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476386
PNG
(CHEMBL122885)
Show SMILES Cc1cn([C@@H]2O[C@H](OCP(O)(O)=O)C=C2)c(=O)[nH]c1=O |c:13|
Show InChI InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50370655
PNG
(CHEMBL485652)
Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21|
Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478099
PNG
(CHEMBL271681)
Show SMILES CO[C@H]1O[C@H](C(F)=C1)n1cnc2c(N)ncnc12 |c:6|
Show InChI InChI=1S/C10H10FN5O2/c1-17-6-2-5(11)10(18-6)16-4-15-7-8(12)13-3-14-9(7)16/h2-4,6,10H,1H3,(H2,12,13,14)/t6-,10+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells


Bioorg Med Chem Lett 18: 1120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.125
BindingDB Entry DOI: 10.7270/Q24Q7XRS
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478098
PNG
(CHEMBL420843)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1 |r,c:21|
Show InChI InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)6-1-2-7(20-6)19-5-21(16,17)18/h1-4,6-7H,5H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells


Bioorg Med Chem Lett 18: 1120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.125
BindingDB Entry DOI: 10.7270/Q24Q7XRS
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478098
PNG
(CHEMBL420843)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1 |r,c:21|
Show InChI InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)6-1-2-7(20-6)19-5-21(16,17)18/h1-4,6-7H,5H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50479808
PNG
(CHEMBL512522)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@](OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C)C=C1 |r,c:31|
Show InChI InChI=1S/C13H18N5O10P3/c1-2-13(26-8-29(19,20)27-31(24,25)28-30(21,22)23)4-3-9(5-13)18-7-17-10-11(14)15-6-16-12(10)18/h2-4,6-7,9H,1,5,8H2,(H,19,20)(H,24,25)(H2,14,15,16)(H2,21,22,23)/t9-,13+/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478100
PNG
(CHEMBL252036 | GS-9148)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1F |r,c:21|
Show InChI InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Gilead Science, Inc

Curated by ChEMBL


Assay Description
Inhibition on HIV1 reverse transcriptase p66/p51


Bioorg Med Chem 17: 1739-46 (2009)


Article DOI: 10.1016/j.bmc.2008.12.028
BindingDB Entry DOI: 10.7270/Q21Z4774
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50478100
PNG
(CHEMBL252036 | GS-9148)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(O)=O)C=C1F |r,c:21|
Show InChI InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells


Bioorg Med Chem Lett 18: 1120-3 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.125
BindingDB Entry DOI: 10.7270/Q24Q7XRS
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50482144
PNG
(CHEMBL1098407)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](OCP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1F |r,c:29|
Show InChI InChI=1S/C10H13FN5O11P3/c11-5-1-6(24-4-28(17,18)26-30(22,23)27-29(19,20)21)25-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)/t6-,10+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 18: 3606-17 (2010)


Article DOI: 10.1016/j.bmc.2010.03.041
BindingDB Entry DOI: 10.7270/Q2M04892
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476387
PNG
(CHEMBL229111)
Show SMILES Cc1cn([C@H]2CC[C@@H](OCP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50476385
PNG
(CHEMBL229284)
Show SMILES OP(O)(=O)OP(O)(O)=O.Cc1cn([C@H]2CC[C@@H](OCP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15N2O7P.H4O7P2/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17;1-8(2,3)7-9(4,5)6/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17);(H2,1,2,3)(H2,4,5,6)/t7-,8+;/m1./s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 15: 5519-28 (2007)


Article DOI: 10.1016/j.bmc.2007.05.047
BindingDB Entry DOI: 10.7270/Q20P12S1
More data for this
Ligand-Target Pair