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PubMed code 8863804

Compile data set for download or QSAR
Found 141 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
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2156
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1,3-dioxo-2,3-dihyd...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3ccccc3C2=O)nc1
Show InChI InChI=1S/C16H13ClN4O2S/c17-10-5-6-13(19-9-10)20-16(24)18-7-8-21-14(22)11-3-1-2-4-12(11)15(21)23/h1-6,9H,7-8H2,(H2,18,19,20,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1890
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2,6-difluorophenyl)e...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H12BrF2N3S/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2132
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-m...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C16H14BrFN4OS/c1-23-14-4-3-13(18)11(12(14)8-19)6-7-20-16(24)22-15-5-2-10(17)9-21-15/h2-5,9H,6-7H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2139
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O2S/c1-22-12-4-5-13(23-2)15(18)11(12)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2159
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(4,7-dichloro-1,3-di...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3c(C2=O)c(Cl)ccc3Cl)nc1
Show InChI InChI=1S/C16H11Cl3N4O2S/c17-8-1-4-11(21-7-8)22-16(26)20-5-6-23-14(24)12-9(18)2-3-10(19)13(12)15(23)25/h1-4,7H,5-6H2,(H2,20,21,22,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2143
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,4,6-trifluorophen...)
Show SMILES Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C14H11ClF3N3S/c15-8-1-2-13(20-7-8)21-14(22)19-4-3-10-11(17)5-9(16)6-12(10)18/h1-2,5-7H,3-4H2,(H2,19,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2131
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-f...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C17H16BrFN4OS/c1-2-24-15-5-4-14(19)12(13(15)9-20)7-8-21-17(25)23-16-6-3-11(18)10-22-16/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2142
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-chloro-3-ethoxy-2-...)
Show SMILES CCOc1ccc(Cl)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2138
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,3-difluoro-6-metho...)
Show SMILES COc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)14(18)10(12)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2153
PNG
(3-[2-(2H-1,2,3-benzotriazol-2-yl)ethyl]-1-(5-bromo...)
Show SMILES Brc1ccc(NC(=S)NCCn2nc3ccccc3n2)nc1
Show InChI InChI=1S/C14H13BrN6S/c15-10-5-6-13(17-9-10)18-14(22)16-7-8-21-19-11-3-1-2-4-12(11)20-21/h1-6,9H,7-8H2,(H2,16,17,18,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2133
PNG
(3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-1-(5...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1C#N
Show InChI InChI=1S/C17H14FN5OS/c1-24-15-4-3-14(18)12(13(15)9-20)6-7-21-17(25)23-16-5-2-11(8-19)10-22-16/h2-5,10H,6-7H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2149
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...)
Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2125
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[2,6-difluoro-3-(meth...)
Show SMILES COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-23-9-10-2-4-13(18)12(15(10)19)6-7-20-16(24)22-14-5-3-11(17)8-21-14/h2-5,8H,6-7,9H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2138
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,3-difluoro-6-metho...)
Show SMILES COc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)14(18)10(12)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2124
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluor...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2128
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C17H16ClFN4OS/c1-2-24-14-5-4-13(19)12(16(14)18)7-8-21-17(25)23-15-6-3-11(9-20)10-22-15/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2129
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-chl...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1Cl
Show InChI InChI=1S/C15H17Cl2FN4OS/c1-2-23-13-4-3-12(18)11(14(13)17)5-7-19-15(24)21-22-8-6-10(16)9-20-22/h3-4,6,8-10H,2,5,7H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2137
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-ethoxy-2,3-difluor...)
Show SMILES CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)15(19)11(13)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2140
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6...)
Show SMILES CCOc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O2S/c1-3-24-14-6-5-13(23-2)12(16(14)19)8-9-20-17(25)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2135
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H18ClN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2134
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-cya...)
Show SMILES COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1C#N
Show InChI InChI=1S/C15H15ClFN5OS/c1-23-14-3-2-13(17)11(12(14)8-18)4-6-19-15(24)21-22-7-5-10(16)9-20-22/h2-3,5,7,9-10H,4,6H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2123
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,6-difluoro-3-metho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)10(14(12)18)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1893
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2-ethoxy-6-fluorophe...)
Show SMILES CCOc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H17BrFN3OS/c1-2-22-14-5-3-4-13(18)12(14)8-9-19-16(23)21-15-7-6-11(17)10-20-15/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2157
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C16H16Cl2FN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2122
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2141
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC
Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2127
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(I)cn2)c1Cl
Show InChI InChI=1S/C16H16ClFIN3OS/c1-2-23-13-5-4-12(18)11(15(13)17)7-8-20-16(24)22-14-6-3-10(19)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2121
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[3-(dimethylamino)-2...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2120
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...)
Show SMILES Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-13(21-8-10)22-15(23)20-6-5-11-12(17)3-1-9(7-19)14(11)18/h1-4,8H,5-6H2,(H2,20,21,22,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2142
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-chloro-3-ethoxy-2-...)
Show SMILES CCOc1ccc(Cl)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2159
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(4,7-dichloro-1,3-di...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3c(C2=O)c(Cl)ccc3Cl)nc1
Show InChI InChI=1S/C16H11Cl3N4O2S/c17-8-1-4-11(21-7-8)22-16(26)20-5-6-23-14(24)12-9(18)2-3-10(19)13(12)15(23)25/h1-4,7H,5-6H2,(H2,20,21,22,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2137
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-ethoxy-2,3-difluor...)
Show SMILES CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)15(19)11(13)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2859
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2136
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)e...)
Show SMILES CCOc1ccc(OCC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C18H22BrN3O2S/c1-3-23-15-6-7-16(24-4-2)13(11-15)9-10-20-18(25)22-17-8-5-14(19)12-21-17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2144
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[4-(dimethylamino)-2...)
Show SMILES CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)11-7-13(18)12(14(19)8-11)5-6-20-16(24)22-15-4-3-10(17)9-21-15/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2124
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluor...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2137
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-ethoxy-2,3-difluor...)
Show SMILES CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)15(19)11(13)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2146
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,4-dichloro-3-ethox...)
Show SMILES CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H15BrCl2FN3OS/c1-2-24-15-11(18)7-12(20)10(14(15)19)5-6-21-16(25)23-13-4-3-9(17)8-22-13/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2155
PNG
(3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-(5-bromopyr...)
Show SMILES Brc1ccc(NC(=S)NCCc2nc3ccccc3[nH]2)nc1
Show InChI InChI=1S/C15H14BrN5S/c16-10-5-6-13(18-9-10)21-15(22)17-8-7-14-19-11-3-1-2-4-12(11)20-14/h1-6,9H,7-8H2,(H,19,20)(H2,17,18,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2118
PNG
(3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}et...)
Show SMILES CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1893
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2-ethoxy-6-fluorophe...)
Show SMILES CCOc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H17BrFN3OS/c1-2-22-14-5-3-4-13(18)12(14)8-9-19-16(23)21-15-7-6-11(17)10-20-15/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2151
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(1H-indol-3-yl)ethyl]...)
Show SMILES Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1
Show InChI InChI=1S/C16H15BrN4S/c17-12-5-6-15(20-10-12)21-16(22)18-8-7-11-9-19-14-4-2-1-3-13(11)14/h1-6,9-10,19H,7-8H2,(H2,18,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2128
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C17H16ClFN4OS/c1-2-24-14-5-4-13(19)12(16(14)18)7-8-21-17(25)23-15-6-3-11(9-20)10-22-15/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1890
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2,6-difluorophenyl)e...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H12BrF2N3S/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2157
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C16H16Cl2FN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2140
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6...)
Show SMILES CCOc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O2S/c1-3-24-14-6-5-13(23-2)12(16(14)19)8-9-20-17(25)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2119
PNG
(LY300046HCl Analog 3 | N-[2-(3-(Acetamidomethyl)-2...)
Show SMILES CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C17H17BrF2N4OS/c1-10(25)22-8-11-2-4-14(19)13(16(11)20)6-7-21-17(26)24-15-5-3-12(18)9-23-15/h2-5,9H,6-8H2,1H3,(H,22,25)(H2,21,23,24,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2130
PNG
(1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-[5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ncc(s2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C15H14ClF4N3OS2/c1-2-24-10-4-3-9(17)8(12(10)16)5-6-21-13(25)23-14-22-7-11(26-14)15(18,19)20/h3-4,7H,2,5-6H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2138
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,3-difluoro-6-metho...)
Show SMILES COc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)14(18)10(12)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1893
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2-ethoxy-6-fluorophe...)
Show SMILES CCOc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C16H17BrFN3OS/c1-2-22-14-5-3-4-13(18)12(14)8-9-19-16(23)21-15-7-6-11(17)10-20-15/h3-7,10H,2,8-9H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2133
PNG
(3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-1-(5...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1C#N
Show InChI InChI=1S/C17H14FN5OS/c1-24-15-4-3-14(18)12(13(15)9-20)6-7-21-17(25)23-16-5-2-11(8-19)10-22-16/h2-5,10H,6-7H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1890
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(2,6-difluorophenyl)e...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H12BrF2N3S/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2132
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-m...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C16H14BrFN4OS/c1-23-14-4-3-13(18)11(12(14)8-19)6-7-20-16(24)22-15-5-2-10(17)9-21-15/h2-5,9H,6-7H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2132
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-m...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C16H14BrFN4OS/c1-23-14-4-3-13(18)11(12(14)8-19)6-7-20-16(24)22-15-5-2-10(17)9-21-15/h2-5,9H,6-7H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2859
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2139
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O2S/c1-22-12-4-5-13(23-2)15(18)11(12)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2133
PNG
(3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]-1-(5...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1C#N
Show InChI InChI=1S/C17H14FN5OS/c1-24-15-4-3-14(18)12(13(15)9-20)6-7-21-17(25)23-16-5-2-11(8-19)10-22-16/h2-5,10H,6-7H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2123
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,6-difluoro-3-metho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)10(14(12)18)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2150
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyanofuran-2-yl)e...)
Show SMILES Clc1ccc(NC(=S)NCCc2occc2C#N)nc1
Show InChI InChI=1S/C13H11ClN4OS/c14-10-1-2-12(17-8-10)18-13(20)16-5-3-11-9(7-15)4-6-19-11/h1-2,4,6,8H,3,5H2,(H2,16,17,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2135
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H18ClN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2147
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-2...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C14H15N5S/c1-19-8-2-3-12(19)6-7-16-14(20)18-13-5-4-11(9-15)10-17-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2139
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClFN3O2S/c1-22-12-4-5-13(23-2)15(18)11(12)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2141
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC
Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2120
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...)
Show SMILES Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-13(21-8-10)22-15(23)20-6-5-11-12(17)3-1-9(7-19)14(11)18/h1-4,8H,5-6H2,(H2,20,21,22,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2142
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-chloro-3-ethoxy-2-...)
Show SMILES CCOc1ccc(Cl)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2148
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C13H15ClN4S/c1-18-8-2-3-11(18)6-7-15-13(19)17-12-5-4-10(14)9-16-12/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,19)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2154
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5,6-dimethyl-2H-1,2,...)
Show SMILES Cc1cc2nn(CCNC(=S)Nc3ccc(Br)cn3)nc2cc1C
Show InChI InChI=1S/C16H17BrN6S/c1-10-7-13-14(8-11(10)2)22-23(21-13)6-5-18-16(24)20-15-4-3-12(17)9-19-15/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2153
PNG
(3-[2-(2H-1,2,3-benzotriazol-2-yl)ethyl]-1-(5-bromo...)
Show SMILES Brc1ccc(NC(=S)NCCn2nc3ccccc3n2)nc1
Show InChI InChI=1S/C14H13BrN6S/c15-10-5-6-13(17-9-10)18-14(22)16-7-8-21-19-11-3-1-2-4-12(11)20-21/h1-6,9H,7-8H2,(H2,16,17,18,22)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2125
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[2,6-difluoro-3-(meth...)
Show SMILES COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-23-9-10-2-4-13(18)12(15(10)19)6-7-20-16(24)22-14-5-3-11(17)8-21-14/h2-5,8H,6-7,9H2,1H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2128
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1Cl
Show InChI InChI=1S/C17H16ClFN4OS/c1-2-24-14-5-4-13(19)12(16(14)18)7-8-21-17(25)23-15-6-3-11(9-20)10-22-15/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2156
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1,3-dioxo-2,3-dihyd...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3ccccc3C2=O)nc1
Show InChI InChI=1S/C16H13ClN4O2S/c17-10-5-6-13(19-9-10)20-16(24)18-7-8-21-14(22)11-3-1-2-4-12(11)15(21)23/h1-6,9H,7-8H2,(H2,18,19,20,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2127
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(I)cn2)c1Cl
Show InChI InChI=1S/C16H16ClFIN3OS/c1-2-23-13-5-4-12(18)11(15(13)17)7-8-20-16(24)22-14-6-3-10(19)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2157
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1Cl
Show InChI InChI=1S/C16H16Cl2FN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2144
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[4-(dimethylamino)-2...)
Show SMILES CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)11-7-13(18)12(14(19)8-11)5-6-20-16(24)22-15-4-3-10(17)9-21-15/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2131
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-f...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C17H16BrFN4OS/c1-2-24-15-5-4-14(19)12(13(15)9-20)7-8-21-17(25)23-16-6-3-11(18)10-22-16/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2149
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...)
Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2154
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5,6-dimethyl-2H-1,2,...)
Show SMILES Cc1cc2nn(CCNC(=S)Nc3ccc(Br)cn3)nc2cc1C
Show InChI InChI=1S/C16H17BrN6S/c1-10-7-13-14(8-11(10)2)22-23(21-13)6-5-18-16(24)20-15-4-3-12(17)9-19-15/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2140
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6...)
Show SMILES CCOc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C17H19ClFN3O2S/c1-3-24-14-6-5-13(23-2)12(16(14)19)8-9-20-17(25)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2122
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2124
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluor...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-2-23-13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2135
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H18ClN3O2S/c1-21-13-4-5-14(22-2)11(9-13)7-8-18-16(23)20-15-6-3-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2859
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2121
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[3-(dimethylamino)-2...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1868
PNG
((+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3...)
Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2145
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-cyano-4-(dimethyla...)
Show SMILES CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
Show InChI InChI=1S/C17H17BrFN5S/c1-24(2)14-5-3-11(16(19)13(14)9-20)7-8-21-17(25)23-15-6-4-12(18)10-22-15/h3-6,10H,7-8H2,1-2H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2131
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-f...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
Show InChI InChI=1S/C17H16BrFN4OS/c1-2-24-15-5-4-14(19)12(13(15)9-20)7-8-21-17(25)23-16-6-3-11(18)10-22-16/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2159
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(4,7-dichloro-1,3-di...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3c(C2=O)c(Cl)ccc3Cl)nc1
Show InChI InChI=1S/C16H11Cl3N4O2S/c17-8-1-4-11(21-7-8)22-16(26)20-5-6-23-14(24)12-9(18)2-3-10(19)13(12)15(23)25/h1-4,7H,5-6H2,(H2,20,21,22,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2149
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-fluorofuran-2-yl)...)
Show SMILES Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C12H11ClFN3OS/c13-8-1-2-11(16-7-8)17-12(19)15-5-3-10-9(14)4-6-18-10/h1-2,4,6-7H,3,5H2,(H2,15,16,17,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2146
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,4-dichloro-3-ethox...)
Show SMILES CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H15BrCl2FN3OS/c1-2-24-15-11(18)7-12(20)10(14(15)19)5-6-21-16(25)23-13-4-3-9(17)8-22-13/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2129
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-chl...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1Cl
Show InChI InChI=1S/C15H17Cl2FN4OS/c1-2-23-13-4-3-12(18)11(14(13)17)5-7-19-15(24)21-22-8-6-10(16)9-20-22/h3-4,6,8-10H,2,5,7H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2144
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[4-(dimethylamino)-2...)
Show SMILES CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)11-7-13(18)12(14(19)8-11)5-6-20-16(24)22-15-4-3-10(17)9-21-15/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2156
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1,3-dioxo-2,3-dihyd...)
Show SMILES Clc1ccc(NC(=S)NCCN2C(=O)c3ccccc3C2=O)nc1
Show InChI InChI=1S/C16H13ClN4O2S/c17-10-5-6-13(19-9-10)20-16(24)18-7-8-21-14(22)11-3-1-2-4-12(11)15(21)23/h1-6,9H,7-8H2,(H2,18,19,20,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2143
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,4,6-trifluorophen...)
Show SMILES Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C14H11ClF3N3S/c15-8-1-2-13(20-7-8)21-14(22)19-4-3-10-11(17)5-9(16)6-12(10)18/h1-2,5-7H,3-4H2,(H2,19,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2152
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5-methoxy-1H-indol-3...)
Show SMILES COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Br)cn3)c2c1
Show InChI InChI=1S/C17H17BrN4OS/c1-23-13-3-4-15-14(8-13)11(9-20-15)6-7-19-17(24)22-16-5-2-12(18)10-21-16/h2-5,8-10,20H,6-7H2,1H3,(H2,19,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2151
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(1H-indol-3-yl)ethyl]...)
Show SMILES Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1
Show InChI InChI=1S/C16H15BrN4S/c17-12-5-6-15(20-10-12)21-16(22)18-8-7-11-9-19-14-4-2-1-3-13(11)14/h1-6,9-10,19H,7-8H2,(H2,18,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2120
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...)
Show SMILES Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-13(21-8-10)22-15(23)20-6-5-11-12(17)3-1-9(7-19)14(11)18/h1-4,8H,5-6H2,(H2,20,21,22,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2127
PNG
(3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-1-(5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ccc(I)cn2)c1Cl
Show InChI InChI=1S/C16H16ClFIN3OS/c1-2-23-13-5-4-12(18)11(15(13)17)7-8-20-16(24)22-14-6-3-10(19)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2141
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimetho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC
Show InChI InChI=1S/C16H17BrFN3O2S/c1-22-13-5-4-12(18)11(15(13)23-2)7-8-19-16(24)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2146
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,4-dichloro-3-ethox...)
Show SMILES CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Show InChI InChI=1S/C16H15BrCl2FN3OS/c1-2-24-15-11(18)7-12(20)10(14(15)19)5-6-21-16(25)23-13-4-3-9(17)8-22-13/h3-4,7-8H,2,5-6H2,1H3,(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2136
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)e...)
Show SMILES CCOc1ccc(OCC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C18H22BrN3O2S/c1-3-23-15-6-7-16(24-4-2)13(11-15)9-10-20-18(25)22-17-8-5-14(19)12-21-17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2125
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[2,6-difluoro-3-(meth...)
Show SMILES COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H16BrF2N3OS/c1-23-9-10-2-4-13(18)12(15(10)19)6-7-20-16(24)22-14-5-3-11(17)8-21-14/h2-5,8H,6-7,9H2,1H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2129
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-chl...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1Cl
Show InChI InChI=1S/C15H17Cl2FN4OS/c1-2-23-13-4-3-12(18)11(14(13)17)5-7-19-15(24)21-22-8-6-10(16)9-20-22/h3-4,6,8-10H,2,5,7H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2143
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(2,4,6-trifluorophen...)
Show SMILES Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C14H11ClF3N3S/c15-8-1-2-13(20-7-8)21-14(22)19-4-3-10-11(17)5-9(16)6-12(10)18/h1-2,5-7H,3-4H2,(H2,19,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2123
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,6-difluoro-3-metho...)
Show SMILES COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C15H14BrF2N3OS/c1-22-12-4-3-11(17)10(14(12)18)6-7-19-15(23)21-13-5-2-9(16)8-20-13/h2-5,8H,6-7H2,1H3,(H2,19,20,21,23)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2134
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-cya...)
Show SMILES COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1C#N
Show InChI InChI=1S/C15H15ClFN5OS/c1-23-14-3-2-13(17)11(12(14)8-18)4-6-19-15(24)21-22-7-5-10(16)9-20-22/h2-3,5,7,9-10H,4,6H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2147
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-2...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C14H15N5S/c1-19-8-2-3-12(19)6-7-16-14(20)18-13-5-4-11(9-15)10-17-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,20)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2134
PNG
(1-(4-chloro-1,2-dihydropyridazin-1-yl)-3-[2-(2-cya...)
Show SMILES COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1C#N
Show InChI InChI=1S/C15H15ClFN5OS/c1-23-14-3-2-13(17)11(12(14)8-18)4-6-19-15(24)21-22-7-5-10(16)9-20-22/h2-3,5,7,9-10H,4,6H2,1H3,(H2,19,21,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2148
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C13H15ClN4S/c1-18-8-2-3-11(18)6-7-15-13(19)17-12-5-4-10(14)9-16-12/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,19)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2136
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)e...)
Show SMILES CCOc1ccc(OCC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
Show InChI InChI=1S/C18H22BrN3O2S/c1-3-23-15-6-7-16(24-4-2)13(11-15)9-10-20-18(25)22-17-8-5-14(19)12-21-17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2155
PNG
(3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-(5-bromopyr...)
Show SMILES Brc1ccc(NC(=S)NCCc2nc3ccccc3[nH]2)nc1
Show InChI InChI=1S/C15H14BrN5S/c16-10-5-6-13(18-9-10)21-15(22)17-8-7-14-19-11-3-1-2-4-12(11)20-14/h1-6,9H,7-8H2,(H,19,20)(H2,17,18,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2122
PNG
(1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H17BrF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2121
PNG
(1-(5-chloropyridin-2-yl)-3-{2-[3-(dimethylamino)-2...)
Show SMILES CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
Show InChI InChI=1S/C16H17ClF2N4S/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2119
PNG
(LY300046HCl Analog 3 | N-[2-(3-(Acetamidomethyl)-2...)
Show SMILES CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C17H17BrF2N4OS/c1-10(25)22-8-11-2-4-14(19)13(16(11)20)6-7-21-17(26)24-15-5-3-12(18)9-23-15/h2-5,9H,6-8H2,1H3,(H,22,25)(H2,21,23,24,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2153
PNG
(3-[2-(2H-1,2,3-benzotriazol-2-yl)ethyl]-1-(5-bromo...)
Show SMILES Brc1ccc(NC(=S)NCCn2nc3ccccc3n2)nc1
Show InChI InChI=1S/C14H13BrN6S/c15-10-5-6-13(17-9-10)18-14(22)16-7-8-21-19-11-3-1-2-4-12(11)20-21/h1-6,9H,7-8H2,(H2,16,17,18,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2118
PNG
(3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}et...)
Show SMILES CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2118
PNG
(3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}et...)
Show SMILES CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2119
PNG
(LY300046HCl Analog 3 | N-[2-(3-(Acetamidomethyl)-2...)
Show SMILES CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
Show InChI InChI=1S/C17H17BrF2N4OS/c1-10(25)22-8-11-2-4-14(19)13(16(11)20)6-7-21-17(26)24-15-5-3-12(18)9-23-15/h2-5,9H,6-8H2,1H3,(H,22,25)(H2,21,23,24,26)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2155
PNG
(3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-(5-bromopyr...)
Show SMILES Brc1ccc(NC(=S)NCCc2nc3ccccc3[nH]2)nc1
Show InChI InChI=1S/C15H14BrN5S/c16-10-5-6-13(18-9-10)21-15(22)17-8-7-14-19-11-3-1-2-4-12(11)20-14/h1-6,9H,7-8H2,(H,19,20)(H2,17,18,21,22)
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n/an/a>2.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2154
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5,6-dimethyl-2H-1,2,...)
Show SMILES Cc1cc2nn(CCNC(=S)Nc3ccc(Br)cn3)nc2cc1C
Show InChI InChI=1S/C16H17BrN6S/c1-10-7-13-14(8-11(10)2)22-23(21-13)6-5-18-16(24)20-15-4-3-12(17)9-19-15/h3-4,7-9H,5-6H2,1-2H3,(H2,18,19,20,24)
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n/an/a>2.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2152
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5-methoxy-1H-indol-3...)
Show SMILES COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Br)cn3)c2c1
Show InChI InChI=1S/C17H17BrN4OS/c1-23-13-3-4-15-14(8-13)11(9-20-15)6-7-19-17(24)22-16-5-2-12(18)10-21-16/h2-5,8-10,20H,6-7H2,1H3,(H2,19,21,22,24)
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n/an/a>2.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2152
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(5-methoxy-1H-indol-3...)
Show SMILES COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Br)cn3)c2c1
Show InChI InChI=1S/C17H17BrN4OS/c1-23-13-3-4-15-14(8-13)11(9-20-15)6-7-19-17(24)22-16-5-2-12(18)10-21-16/h2-5,8-10,20H,6-7H2,1H3,(H2,19,21,22,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1866
PNG
(3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1
Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2151
PNG
(1-(5-bromopyridin-2-yl)-3-[2-(1H-indol-3-yl)ethyl]...)
Show SMILES Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1
Show InChI InChI=1S/C16H15BrN4S/c17-12-5-6-15(20-10-12)21-16(22)18-8-7-11-9-19-14-4-2-1-3-13(11)14/h1-6,9-10,19H,7-8H2,(H2,18,20,21,22)
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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2150
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyanofuran-2-yl)e...)
Show SMILES Clc1ccc(NC(=S)NCCc2occc2C#N)nc1
Show InChI InChI=1S/C13H11ClN4OS/c14-10-1-2-12(17-8-10)18-13(20)16-5-3-11-9(7-15)4-6-19-11/h1-2,4,6,8H,3,5H2,(H2,16,17,18,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2150
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(3-cyanofuran-2-yl)e...)
Show SMILES Clc1ccc(NC(=S)NCCc2occc2C#N)nc1
Show InChI InChI=1S/C13H11ClN4OS/c14-10-1-2-12(17-8-10)18-13(20)16-5-3-11-9(7-15)4-6-19-11/h1-2,4,6,8H,3,5H2,(H2,16,17,18,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2148
PNG
(1-(5-chloropyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C13H15ClN4S/c1-18-8-2-3-11(18)6-7-15-13(19)17-12-5-4-10(14)9-16-12/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2147
PNG
(1-(5-cyanopyridin-2-yl)-3-[2-(1-methyl-1H-pyrrol-2...)
Show SMILES Cn1cccc1CCNC(=S)Nc1ccc(cn1)C#N
Show InChI InChI=1S/C14H15N5S/c1-19-8-2-3-12(19)6-7-16-14(20)18-13-5-4-11(9-15)10-17-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,20)
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n/an/a 3.50E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2130
PNG
(1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-[5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ncc(s2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C15H14ClF4N3OS2/c1-2-24-10-4-3-9(17)8(12(10)16)5-6-21-13(25)23-14-22-7-11(26-14)15(18,19)20/h3-4,7H,2,5-6H2,1H3,(H2,21,22,23,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM2130
PNG
(1-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-[5...)
Show SMILES CCOc1ccc(F)c(CCNC(=S)Nc2ncc(s2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C15H14ClF4N3OS2/c1-2-24-10-4-3-9(17)8(12(10)16)5-6-21-13(25)23-14-22-7-11(26-14)15(18,19)20/h3-4,7H,2,5-6H2,1H3,(H2,21,22,23,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



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Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1868
PNG
((+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3...)
Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM1868
PNG
((+)-(5S)-4,5,6,7-tetrahydro-9-chloro 5-methyl-6-(3...)
Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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n/an/a 3.22E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C)


(Human immunodeficiency virus type 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 2.01E+5n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 39: 4261-74 (1996)


Article DOI: 10.1021/jm950639r
BindingDB Entry DOI: 10.7270/Q2542KSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%