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PubMed code 8523406

Compile data set for download or QSAR
Found 59 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)
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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1891
PNG
(1-[2-(2,6-difluorophenyl)ethyl]-3-(5-methylpyridin...)
Show SMILES Cc1ccc(NC(=S)NCCc2c(F)cccc2F)nc1
Show InChI InChI=1S/C15H15F2N3S/c1-10-5-6-14(19-9-10)20-15(21)18-8-7-11-12(16)3-2-4-13(11)17/h2-6,9H,7-8H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1892
PNG
(1-[2-(2-ethoxy-6-fluorophenyl)ethyl]-3-(5-methylpy...)
Show SMILES CCOc1cccc(F)c1CCNC(=S)Nc1ccc(C)cn1
Show InChI InChI=1S/C17H20FN3OS/c1-3-22-15-6-4-5-14(18)13(15)9-10-19-17(23)21-16-8-7-12(2)11-20-16/h4-8,11H,3,9-10H2,1-2H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1888
PNG
(1-[2-(2,6-difluorophenyl)ethyl]-3-(4-ethyl-1,3-thi...)
Show SMILES CCc1csc(NC(=S)NCCc2c(F)cccc2F)n1
Show InChI InChI=1S/C14H15F2N3S2/c1-2-9-8-21-14(18-9)19-13(20)17-7-6-10-11(15)4-3-5-12(10)16/h3-5,8H,2,6-7H2,1H3,(H2,17,18,19,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
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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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1889
PNG
(3-(4-cyano-1,3-thiazol-2-yl)-1-[2-(2,6-difluorophe...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1nc(cs1)C#N
Show InChI InChI=1S/C13H10F2N4S2/c14-10-2-1-3-11(15)9(10)4-5-17-12(20)19-13-18-8(6-16)7-21-13/h1-3,7H,4-5H2,(H2,17,18,19,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1917
PNG
(1-[2-(2-chloro-6-fluorophenyl)ethyl]-3-1,3-thiazol...)
Show SMILES Fc1cccc(Cl)c1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H11ClFN3S2/c13-9-2-1-3-10(14)8(9)4-5-15-11(18)17-12-16-6-7-19-12/h1-3,6-7H,4-5H2,(H2,15,16,17,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1914
PNG
(1-[2-(2-fluoro-6-methoxyphenyl)ethyl]-3-1,3-thiazo...)
Show SMILES COc1cccc(F)c1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C13H14FN3OS2/c1-18-11-4-2-3-10(14)9(11)5-6-15-12(19)17-13-16-7-8-20-13/h2-4,7-8H,5-6H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1916
PNG
(1-[2-(2,6-difluorophenyl)ethyl]-3-1,3-thiazol-2-yl...)
Show SMILES Fc1cccc(F)c1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H11F2N3S2/c13-9-2-1-3-10(14)8(9)4-5-15-11(18)17-12-16-6-7-19-12/h1-3,6-7H,4-5H2,(H2,15,16,17,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1915
PNG
(1-[2-(2-ethoxy-6-fluorophenyl)ethyl]-3-1,3-thiazol...)
Show SMILES CCOc1cccc(F)c1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C14H16FN3OS2/c1-2-19-12-5-3-4-11(15)10(12)6-7-16-13(20)18-14-17-8-9-21-14/h3-5,8-9H,2,6-7H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1885
PNG
(3-(5-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...)
Show SMILES Brc1ccc(NC(=S)NCCc2ccccc2)nc1
Show InChI InChI=1S/C14H14BrN3S/c15-12-6-7-13(17-10-12)18-14(19)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1913
PNG
(1-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-1,3-thiazol...)
Show SMILES COc1ccc(Br)cc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C13H14BrN3OS2/c1-18-11-3-2-10(14)8-9(11)4-5-15-12(19)17-13-16-6-7-20-13/h2-3,6-8H,4-5H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1886
PNG
(3-(5-methylpyridin-2-yl)-1-(2-phenylethyl)thiourea...)
Show SMILES Cc1ccc(NC(=S)NCCc2ccccc2)nc1
Show InChI InChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1902
PNG
(1-[2-(2-azidophenyl)ethyl]-3-1,3-thiazol-2-ylthiou...)
Show SMILES [N-]=[N+]=Nc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H12N6S2/c13-18-17-10-4-2-1-3-9(10)5-6-14-11(19)16-12-15-7-8-20-12/h1-4,7-8H,5-6H2,(H2,14,15,16,19)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM2855
PNG
(1-[2-(2-methoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES COc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C13H15N3OS2/c1-17-11-5-3-2-4-10(11)6-7-14-12(18)16-13-15-8-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,14,15,16,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1895
PNG
(1-[2-(2-fluorophenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES Fc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H12FN3S2/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1906
PNG
(1-[2-(3-ethoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES CCOc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C14H17N3OS2/c1-2-18-12-5-3-4-11(10-12)6-7-15-13(19)17-14-16-8-9-20-14/h3-5,8-10H,2,6-7H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1901
PNG
(1-[2-(2-methylphenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES Cc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C13H15N3S2/c1-10-4-2-3-5-11(10)6-7-14-12(17)16-13-15-8-9-18-13/h2-5,8-9H,6-7H2,1H3,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1911
PNG
(1-[2-(2,6-dimethoxyphenyl)ethyl]-3-1,3-thiazol-2-y...)
Show SMILES COc1cccc(OC)c1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C14H17N3O2S2/c1-18-11-4-3-5-12(19-2)10(11)6-7-15-13(20)17-14-16-8-9-21-14/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1870
PNG
(3-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)thi...)
Show SMILES Cc1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C13H15N3S2/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1899
PNG
(1-[2-(3-methoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES COc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C13H15N3OS2/c1-17-11-4-2-3-10(9-11)5-6-14-12(18)16-13-15-7-8-19-13/h2-4,7-9H,5-6H2,1H3,(H2,14,15,16,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1903
PNG
(1-[2-(2-nitrophenyl)ethyl]-3-1,3-thiazol-2-ylthiou...)
Show SMILES [O-][N+](=O)c1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H12N4O2S2/c17-16(18)10-4-2-1-3-9(10)5-6-13-11(19)15-12-14-7-8-20-12/h1-4,7-8H,5-6H2,(H2,13,14,15,19)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1896
PNG
(1-[2-(3-fluorophenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES Fc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C12H12FN3S2/c13-10-3-1-2-9(8-10)4-5-14-11(17)16-12-15-6-7-18-12/h1-3,6-8H,4-5H2,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1912
PNG
(1-[2-(2,5-dimethoxyphenyl)ethyl]-3-1,3-thiazol-2-y...)
Show SMILES COc1ccc(OC)c(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C14H17N3O2S2/c1-18-11-3-4-12(19-2)10(9-11)5-6-15-13(20)17-14-16-7-8-21-14/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1878
PNG
(N-(2-Phenethyl)-N -(2-(4-(ethoxycarbonyl)thiazolyl...)
Show SMILES CCOC(=O)c1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C15H17N3O2S2/c1-2-20-13(19)12-10-22-15(17-12)18-14(21)16-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,16,17,18,21)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1918
PNG
(1-[2-(pyridin-2-yl)ethyl]-3-1,3-thiazol-2-ylthiour...)
Show SMILES S=C(NCCc1ccccn1)Nc1nccs1
Show InChI InChI=1S/C11H12N4S2/c16-10(15-11-14-7-8-17-11)13-6-4-9-3-1-2-5-12-9/h1-3,5,7-8H,4,6H2,(H2,13,14,15,16)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1907
PNG
(1-[2-(3-propoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES CCCOc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C15H19N3OS2/c1-2-9-19-13-5-3-4-12(11-13)6-7-16-14(20)18-15-17-8-10-21-15/h3-5,8,10-11H,2,6-7,9H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1887
PNG
(3-1,3-benzothiazol-2-yl-1-(2-phenylethyl)thiourea ...)
Show SMILES S=C(NCCc1ccccc1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C16H15N3S2/c20-15(17-11-10-12-6-2-1-3-7-12)19-16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H2,17,18,19,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1873
PNG
(1-(2-phenylethyl)-3-[4-(propan-2-yl)-1,3-thiazol-2...)
Show SMILES CC(C)c1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C15H19N3S2/c1-11(2)13-10-20-15(17-13)18-14(19)16-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1875
PNG
(3-(4-cyano-1,3-thiazol-2-yl)-1-(2-phenylethyl)thio...)
Show SMILES S=C(NCCc1ccccc1)Nc1nc(cs1)C#N
Show InChI InChI=1S/C13H12N4S2/c14-8-11-9-19-13(16-11)17-12(18)15-7-6-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H2,15,16,17,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1900
PNG
(1-[2-(4-methoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES COc1ccc(CCNC(=S)Nc2nccs2)cc1
Show InChI InChI=1S/C13H15N3OS2/c1-17-11-4-2-10(3-5-11)6-7-14-12(18)16-13-15-8-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,14,15,16,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1872
PNG
(1-(2-phenylethyl)-3-(4-propyl-1,3-thiazol-2-yl)thi...)
Show SMILES CCCc1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C15H19N3S2/c1-2-6-13-11-20-15(17-13)18-14(19)16-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1908
PNG
(1-{2-[3-(propan-2-yloxy)phenyl]ethyl}-3-1,3-thiazo...)
Show SMILES CC(C)Oc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C15H19N3OS2/c1-11(2)19-13-5-3-4-12(10-13)6-7-16-14(20)18-15-17-8-9-21-15/h3-5,8-11H,6-7H2,1-2H3,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1867
PNG
(1-(2-phenylpropyl)-3-1,3-thiazol-2-ylthiourea | N-...)
Show SMILES CC(CNC(=S)Nc1nccs1)c1ccccc1
Show InChI InChI=1S/C13H15N3S2/c1-10(11-5-3-2-4-6-11)9-15-12(17)16-13-14-7-8-18-13/h2-8,10H,9H2,1H3,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1876
PNG
(1-(2-phenylethyl)-3-[4-(trifluoromethyl)-1,3-thiaz...)
Show SMILES FC(F)(F)c1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C13H12F3N3S2/c14-13(15,16)10-8-21-12(18-10)19-11(20)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,17,18,19,20)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1905
PNG
(1-[2-(2-chlorophenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES Clc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H12ClN3S2/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1871
PNG
(3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)thio...)
Show SMILES CCc1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C14H17N3S2/c1-2-12-10-19-14(16-12)17-13(18)15-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,15,16,17,18)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1922
PNG
(1-[2-(furan-2-yl)ethyl]-3-1,3-thiazol-2-ylthiourea...)
Show SMILES S=C(NCCc1ccco1)Nc1nccs1
Show InChI InChI=1S/C10H11N3OS2/c15-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-14-8/h1-2,5-7H,3-4H2,(H2,11,12,13,15)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1894
PNG
(1-(2-phenylethyl)-3-1,3-thiazol-2-ylthiourea | CHE...)
Show SMILES S=C(NCCc1ccccc1)Nc1nccs1
Show InChI InChI=1S/C12H13N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1897
PNG
(1-[2-(4-fluorophenyl)ethyl]-3-1,3-thiazol-2-ylthio...)
Show SMILES Fc1ccc(CCNC(=S)Nc2nccs2)cc1
Show InChI InChI=1S/C12H12FN3S2/c13-10-3-1-9(2-4-10)5-6-14-11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H2,14,15,16,17)
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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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1910
PNG
(1-[2-(3-phenoxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES S=C(NCCc1cccc(Oc2ccccc2)c1)Nc1nccs1
Show InChI InChI=1S/C18H17N3OS2/c23-17(21-18-20-11-12-24-18)19-10-9-14-5-4-8-16(13-14)22-15-6-2-1-3-7-15/h1-8,11-13H,9-10H2,(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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1904
PNG
(1-[2-(2-hydroxyphenyl)ethyl]-3-1,3-thiazol-2-ylthi...)
Show SMILES Oc1ccccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C12H13N3OS2/c16-10-4-2-1-3-9(10)5-6-13-11(17)15-12-14-7-8-18-12/h1-4,7-8,16H,5-6H2,(H2,13,14,15,17)
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n/an/a 1.10E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1923
PNG
(1-benzyl-3-1,3-thiazol-2-ylthiourea | N-(2-(2-Benz...)
Show SMILES S=C(NCc1ccccc1)Nc1nccs1
Show InChI InChI=1S/C11H11N3S2/c15-10(14-11-12-6-7-16-11)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14,15)
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n/an/a 1.20E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1869
PNG
(3-methyl-1-(2-phenylethyl)-3-1,3-thiazol-2-ylthiou...)
Show SMILES CN(C(=S)NCCc1ccccc1)c1nccs1
Show InChI InChI=1S/C13H15N3S2/c1-16(13-15-9-10-18-13)12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)
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n/an/a 1.50E+3n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1881
PNG
(1-(2-phenylethyl)-3-1,3,4-thiadiazol-2-ylthiourea ...)
Show SMILES S=C(NCCc1ccccc1)Nc1nncs1
Show InChI InChI=1S/C11H12N4S2/c16-10(14-11-15-13-8-17-11)12-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,14,15,16)
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n/an/a 1.90E+3n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1921
PNG
(1-[2-(1-methyl-1H-pyrrol-2-yl)ethyl]-3-1,3-thiazol...)
Show SMILES Cn1cccc1CCNC(=S)Nc1nccs1
Show InChI InChI=1S/C11H14N4S2/c1-15-7-2-3-9(15)4-5-12-10(16)14-11-13-6-8-17-11/h2-3,6-8H,4-5H2,1H3,(H2,12,13,14,16)
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n/an/a 1.90E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1879
PNG
(3-(5-chloro-1,3-thiazol-2-yl)-1-(2-phenylethyl)thi...)
Show SMILES Clc1cnc(NC(=S)NCCc2ccccc2)s1
Show InChI InChI=1S/C12H12ClN3S2/c13-10-8-15-12(18-10)16-11(17)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,17)
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n/an/a 2.40E+3n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1874
PNG
(3-(4-butyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)thio...)
Show SMILES CCCCc1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C16H21N3S2/c1-2-3-9-14-12-21-16(18-14)19-15(20)17-11-10-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,17,18,19,20)
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n/an/a 2.50E+3n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1882
PNG
(1-(2-phenylethyl)-3-pyrazin-2-ylthiourea | N-(2-Ph...)
Show SMILES S=C(NCCc1ccccc1)Nc1cnccn1
Show InChI InChI=1S/C13H14N4S/c18-13(17-12-10-14-8-9-15-12)16-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H2,15,16,17,18)
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n/an/a 3.90E+3n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1884
PNG
(3-(3-bromopyridin-2-yl)-1-(2-phenylethyl)thiourea ...)
Show SMILES Brc1cccnc1NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C14H14BrN3S/c15-12-7-4-9-16-13(12)18-14(19)17-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H2,16,17,18,19)
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n/an/a>1.00E+4n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1919
PNG
(1-[2-(pyridin-3-yl)ethyl]-3-1,3-thiazol-2-ylthiour...)
Show SMILES S=C(NCCc1cccnc1)Nc1nccs1
Show InChI InChI=1S/C11H12N4S2/c16-10(15-11-14-6-7-17-11)13-5-3-9-2-1-4-12-8-9/h1-2,4,6-8H,3,5H2,(H2,13,14,15,16)
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n/an/a>1.00E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1877
PNG
(2-{[(2-phenylethyl)carbamothioyl]amino}-1,3-thiazo...)
Show SMILES OC(=O)c1csc(NC(=S)NCCc2ccccc2)n1
Show InChI InChI=1S/C13H13N3O2S2/c17-11(18)10-8-20-13(15-10)16-12(19)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)(H2,14,15,16,19)
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n/an/a>1.00E+4n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1920
PNG
(1-[2-(pyridin-4-yl)ethyl]-3-1,3-thiazol-2-ylthiour...)
Show SMILES S=C(NCCc1ccncc1)Nc1nccs1
Show InChI InChI=1S/C11H12N4S2/c16-10(15-11-14-7-8-17-11)13-6-3-9-1-4-12-5-2-9/h1-2,4-5,7-8H,3,6H2,(H2,13,14,15,16)
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n/an/a>1.00E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1909
PNG
(1-{2-[3-(hexyloxy)phenyl]ethyl}-3-1,3-thiazol-2-yl...)
Show SMILES CCCCCCOc1cccc(CCNC(=S)Nc2nccs2)c1
Show InChI InChI=1S/C18H25N3OS2/c1-2-3-4-5-12-22-16-8-6-7-15(14-16)9-10-19-17(23)21-18-20-11-13-24-18/h6-8,11,13-14H,2-5,9-10,12H2,1H3,(H2,19,20,21,23)
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n/an/a>1.00E+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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1880
PNG
(1-(2-phenylethyl)-3-1H-pyrazol-3-ylthiourea | N-(2...)
Show SMILES S=C(NCCc1ccccc1)Nc1ccn[nH]1
Show InChI InChI=1S/C12H14N4S/c17-12(15-11-7-9-14-16-11)13-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H3,13,14,15,16,17)
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n/an/a>1.00E+4n/an/an/an/a7.837



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 38: 4929-36 (1995)


Article DOI: 10.1021/jm00025a010
BindingDB Entry DOI: 10.7270/Q2639MXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%