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45 similar compounds to monomer 50004152

Compile data set for download or QSAR
Wt: 412.5
BDBM1436
Wt: 354.4
BDBM10904
Wt: 320.4
BDBM50004119
Wt: 382.4
BDBM50004122
Wt: 322.3
BDBM50004123
Wt: 368.4
BDBM50004124
Wt: 318.3
BDBM50004126
Wt: 306.3
BDBM50004129
Wt: 374.4
BDBM50004131
Wt: 375.2
BDBM50004133
Wt: 278.3
BDBM50004134
Wt: 396.5
BDBM50004138
Wt: 306.3
BDBM50004146
Wt: 382.4
BDBM50004148
Wt: 292.3
BDBM50004151
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 1436,10904,50004119,50004122,50004123,50004124,50004126,50004129,50004131,50004133,50004134,50004138,50004146,50004148,50004151   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1436
PNG
(1-[[2-(benzyloxy)ethoxy]methyl]-5-ethyl-6-(phenylt...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCOCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N2O4S/c1-2-19-20(25)23-22(26)24(21(19)29-18-11-7-4-8-12-18)16-28-14-13-27-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,23,25,26)
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n/an/a 3n/an/an/an/an/an/a



Boehringer Mannheim GmbH



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 36: 2526-35 (1993)


Article DOI: 10.1021/jm00069a011
BindingDB Entry DOI: 10.7270/Q2BR8QCZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM10904
PNG
(1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...)
Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)
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n/an/an/an/a 88n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM10904
PNG
(1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...)
Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)
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n/an/a 400n/an/an/an/an/an/a



URA 1387 CNRS

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase(RT)


J Med Chem 38: 4679-86 (1995)


Article DOI: 10.1021/jm00023a007
BindingDB Entry DOI: 10.7270/Q2QF8RWD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004126
PNG
(5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O3S/c1-2-21-10-18-15(22-12-6-4-3-5-7-12)13(11-8-9-11)14(19)17-16(18)20/h3-7,11H,2,8-10H2,1H3,(H,17,19,20)
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n/an/an/an/a 100n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004138
PNG
(1-Benzyloxymethyl-6-(3,5-dimethyl-phenylsulfanyl)-...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N2O3S/c1-4-19-20(25)23-22(26)24(14-27-13-17-8-6-5-7-9-17)21(19)28-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,23,25,26)
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n/an/an/an/a 3.20n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004131
PNG
(1-Cyclohexylmethoxymethyl-5-ethyl-6-phenylsulfanyl...)
Show SMILES CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 450n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004148
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-1H-...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)18-19(24)22-21(25)23(14-26-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,25)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004146
PNG
(5-Methyl-6-phenylsulfanyl-1-propoxymethyl-1H-pyrim...)
Show SMILES CCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-9-20-10-17-14(11(2)13(18)16-15(17)19)21-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004129
PNG
(1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyrimid...)
Show SMILES CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(10-20-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 19n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004124
PNG
(1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyri...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H20N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 5.90n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM10904
PNG
(1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...)
Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)
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n/an/an/an/a 88n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004119
PNG
(1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyr...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 12n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004133
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O3S/c1-3-12-13(20)18-15(21)19(8-22-4-2)14(12)23-11-6-9(16)5-10(17)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,20,21)
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n/an/an/an/a 7.40n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004151
PNG
(1-Ethoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrimi...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-9-16-13(10(2)12(17)15-14(16)18)20-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17,18)
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n/an/an/an/a 330n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004123
PNG
(1-(2-Methoxy-ethoxymethyl)-5-methyl-6-phenylsulfan...)
Show SMILES COCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O4S/c1-11-13(18)16-15(19)17(10-21-9-8-20-2)14(11)22-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 8.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004134
PNG
(1-Methoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrim...)
Show SMILES COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-9-11(16)14-13(17)15(8-18-2)12(9)19-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,16,17)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004122
PNG
(5-Ethyl-1-phenethyloxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-2-18-19(24)22-21(25)23(20(18)27-17-11-7-4-8-12-17)15-26-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,25)
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n/an/an/an/a 96n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004148
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-1H-...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)18-19(24)22-21(25)23(14-26-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,25)
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n/an/an/an/a 2.70n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004151
PNG
(1-Ethoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrimi...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-9-16-13(10(2)12(17)15-14(16)18)20-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17,18)
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n/an/an/an/a 330n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004134
PNG
(1-Methoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrim...)
Show SMILES COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N2O3S/c1-9-11(16)14-13(17)15(8-18-2)12(9)19-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,16,17)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004119
PNG
(1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-1H-pyr...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 12n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004129
PNG
(1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyrimid...)
Show SMILES CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(10-20-4-2)14(12)21-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 19n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004126
PNG
(5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O3S/c1-2-21-10-18-15(22-12-6-4-3-5-7-12)13(11-8-9-11)14(19)17-16(18)20/h3-7,11H,2,8-10H2,1H3,(H,17,19,20)
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n/an/an/an/a 100n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004146
PNG
(5-Methyl-6-phenylsulfanyl-1-propoxymethyl-1H-pyrim...)
Show SMILES CCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H18N2O3S/c1-3-9-20-10-17-14(11(2)13(18)16-15(17)19)21-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004124
PNG
(1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-1H-pyri...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H20N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 5.90n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade


J Med Chem 44: 145-54 (2001)


Article DOI: 10.1021/jm000255n
BindingDB Entry DOI: 10.7270/Q2VX0FRX
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM10904
PNG
(1-[(benzyloxy)methyl]-5-methyl-6-(phenylsulfanyl)-...)
Show SMILES Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O3S/c1-14-17(22)20-19(23)21(13-24-12-15-8-4-2-5-9-15)18(14)25-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,22,23)
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n/an/a 300n/an/an/an/a8.037



Institut Curie



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 43: 3949-62 (2000)


Article DOI: 10.1021/jm0009437
BindingDB Entry DOI: 10.7270/Q2V12315
More data for this
Ligand-Target Pair