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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'HIV-1 Reverse Transcriptase Mutant (L100I)'   
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 Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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PubMed
120 -41.1n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM27580
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3
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250 -39.2n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM27582
PNG
(8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...)
Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3
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800 -36.2n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
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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PubMed
9.00E+3 -30.0n/an/an/an/an/a7.537



Universita di Siena



Assay Description
The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...


J Med Chem 52: 1224-8 (2009)


Article DOI: 10.1021/jm801395v
BindingDB Entry DOI: 10.7270/Q237772D
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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n/an/a 50n/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 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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n/an/a>2.00E+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 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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n/an/a>2.00E+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 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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n/an/a 400n/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 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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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 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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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 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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n/an/a 870n/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 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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n/an/a 170n/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 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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n/an/a 720n/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 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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n/an/a 190n/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 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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PubMed
n/an/a 3.50E+3n/an/an/an/a7.837



Universita di Roma



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


J Med Chem 39: 522-30 (1996)


Article DOI: 10.1021/jm950568w
BindingDB Entry DOI: 10.7270/Q27W69D4
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2341
PNG
(Isopropyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-1Hp...)
Show SMILES CC(C)OC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
Show InChI InChI=1S/C14H15ClN2O4S/c1-9(2)21-14(18)12-4-3-7-17(12)22(19,20)13-8-10(15)5-6-11(13)16/h3-9H,16H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/a7.837



Universita di Roma



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


J Med Chem 39: 522-30 (1996)


Article DOI: 10.1021/jm950568w
BindingDB Entry DOI: 10.7270/Q27W69D4
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2340
PNG
(Pyrrolyl Aryl Sulfone (PAS) 8f | n-Propyl 1-[(2-Am...)
Show SMILES CCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
Show InChI InChI=1S/C14H15ClN2O4S/c1-2-8-21-14(18)12-4-3-7-17(12)22(19,20)13-9-10(15)5-6-11(13)16/h3-7,9H,2,8,16H2,1H3
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n/an/a 1.00E+4n/an/an/an/a7.837



Universita di Roma



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


J Med Chem 39: 522-30 (1996)


Article DOI: 10.1021/jm950568w
BindingDB Entry DOI: 10.7270/Q27W69D4
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2338
PNG
(Methyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-1H-pyr...)
Show SMILES COC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
Show InChI InChI=1S/C12H11ClN2O4S/c1-19-12(16)10-3-2-6-15(10)20(17,18)11-7-8(13)4-5-9(11)14/h2-7H,14H2,1H3
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n/an/a 7.40E+3n/an/an/an/a7.837



Universita di Roma



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


J Med Chem 39: 522-30 (1996)


Article DOI: 10.1021/jm950568w
BindingDB Entry DOI: 10.7270/Q27W69D4
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM2339
PNG
(Pyrrolyl Aryl Sulfone (PAS) 3 | Pyrrolyl Aryl Sulf...)
Show SMILES CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
Show InChI InChI=1S/C13H13ClN2O4S/c1-2-20-13(17)11-4-3-7-16(11)21(18,19)12-8-9(14)5-6-10(12)15/h3-8H,2,15H2,1H3
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n/an/a 8.50E+3n/an/an/an/a7.837



Universita di Roma



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


J Med Chem 39: 522-30 (1996)


Article DOI: 10.1021/jm950568w
BindingDB Entry DOI: 10.7270/Q27W69D4
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>1.00E+5n/an/an/an/a7.822



University of Oxford



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 47: 5912-22 (2004)


Article DOI: 10.1021/jm040071z
BindingDB Entry DOI: 10.7270/Q2ZG6QGC
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM12081
PNG
(6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...)
Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
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PubMed
n/an/a 2.38E+3n/an/an/an/a7.822



University of Oxford



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 47: 5912-22 (2004)


Article DOI: 10.1021/jm040071z
BindingDB Entry DOI: 10.7270/Q2ZG6QGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM12080
PNG
(6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...)
Show SMILES CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
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n/an/a 1.61E+3n/an/an/an/a7.822



University of Oxford



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 47: 5912-22 (2004)


Article DOI: 10.1021/jm040071z
BindingDB Entry DOI: 10.7270/Q2ZG6QGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM12079
PNG
(6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...)
Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)
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n/an/a 1.96E+3n/an/an/an/a7.822



University of Oxford



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 47: 5912-22 (2004)


Article DOI: 10.1021/jm040071z
BindingDB Entry DOI: 10.7270/Q2ZG6QGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I)


(Human immunodeficiency virus type 1)
BDBM12078
PNG
(6-Chloro-4-cyclohexyloxy-3-propyl-1H-quinol-2-one ...)
Show SMILES CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)
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n/an/a 1.36E+3n/an/an/an/a7.822



University of Oxford



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 47: 5912-22 (2004)


Article DOI: 10.1021/jm040071z
BindingDB Entry DOI: 10.7270/Q2ZG6QGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 (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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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)
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)
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 (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 (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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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)
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)
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 (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 (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)
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)
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)
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)
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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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 (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 (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



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)
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



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)
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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n/an/a 280n/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)
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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n/an/a 130n/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)
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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n/an/a 50n/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)
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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n/an/a 230n/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)
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 430n/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)
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
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