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PubMed code 12593657

Compile data set for download or QSAR
Found 66 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123880
PNG
((4-Chloro-phenyl)-(2-chloro-pyridine-4-carbonyl)-t...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C23H15Cl2N3O4S/c24-15-5-7-16(8-6-15)28(20(29)14-9-10-26-19(25)13-14)23(33)32-12-11-27-21(30)17-3-1-2-4-18(17)22(27)31/h1-10,13H,11-12H2
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PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123871
PNG
((4-Chloro-phenyl)-(furan-2-carbonyl)-thiocarbamic ...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C22H15ClN2O5S/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-12-29-18)22(31)30-13-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,12H,11,13H2
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123875
PNG
((4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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 4.20E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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 6.00E+3n/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123870
PNG
(Benzoyl-phenyl-thiocarbamic acid O-[2-(1,3-dioxo-1...)
Show SMILES O=C(N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O4S/c27-21(17-9-3-1-4-10-17)26(18-11-5-2-6-12-18)24(31)30-16-15-25-22(28)19-13-7-8-14-20(19)23(25)29/h1-14H,15-16H2
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n/an/an/an/a 400n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123890
PNG
(CHEMBL166333 | O-(1-methyl-2-phenoxyethyl) O-pheny...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c1-18(17-26-20-13-7-3-8-14-20)27-23(29)24(19-11-5-2-6-12-19)22(25)28-21-15-9-4-10-16-21/h2-16,18H,17H2,1H3
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n/an/an/an/a>2.00E+5n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123916
PNG
(CHEMBL349827 | Phenyl-(thiophene-2-carbonyl)-thioc...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccccc1
Show InChI InChI=1S/C21H19NO3S2/c1-16(15-24-18-11-6-3-7-12-18)25-21(26)22(17-9-4-2-5-10-17)20(23)19-13-8-14-27-19/h2-14,16H,15H2,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123905
PNG
((3-Nitro-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES [O-][N+](=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15N3O6S2/c26-19-16-7-1-2-8-17(16)20(27)23(19)10-11-31-22(32)24(21(28)18-9-4-12-33-18)14-5-3-6-15(13-14)25(29)30/h1-9,12-13H,10-11H2
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n/an/an/an/a 380n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123918
PNG
((4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES Clc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18ClNO3S/c23-18-13-11-17(12-14-18)21(25)24(19-7-3-1-4-8-19)22(28)27-16-15-26-20-9-5-2-6-10-20/h1-14H,15-16H2
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n/an/an/an/a 1.03E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123885
PNG
(Benzoyl-(4-fluoro-phenyl)-thiocarbamic acid O-(2-p...)
Show SMILES Fc1ccc(cc1)N(C(=S)OCCOc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H18FNO3S/c23-18-11-13-19(14-12-18)24(21(25)17-7-3-1-4-8-17)22(28)27-16-15-26-20-9-5-2-6-10-20/h1-14H,15-16H2
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UniChem
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n/an/an/an/a 4.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123881
PNG
((4-Ethyl-phenyl)-(furan-2-carbonyl)-thiocarbamic a...)
Show SMILES CCc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C24H20N2O5S/c1-2-16-9-11-17(12-10-16)26(23(29)20-8-5-14-30-20)24(32)31-15-13-25-21(27)18-6-3-4-7-19(18)22(25)28/h3-12,14H,2,13,15H2,1H3
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n/an/an/an/a 30n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123895
PNG
(Benzoyl-phenyl-thiocarbamic acid O-phenethyl ester...)
Show SMILES O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19NO2S/c24-21(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)22(26)25-17-16-18-10-4-1-5-11-18/h1-15H,16-17H2
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n/an/an/an/a 4.20E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123868
PNG
((4-Methyl-benzoyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES Cc1ccc(cc1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c1-18-12-14-19(15-13-18)22(25)24(20-8-4-2-5-9-20)23(28)27-17-16-26-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
PDB
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UniChem
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n/an/an/an/a 9.90E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123883
PNG
((Thiophene-2-carbonyl)-p-tolyl-thiocarbamic acid O...)
Show SMILES Cc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O4S2/c1-15-8-10-16(11-9-15)25(22(28)19-7-4-14-31-19)23(30)29-13-12-24-20(26)17-5-2-3-6-18(17)21(24)27/h2-11,14H,12-13H2,1H3
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n/an/an/an/a 400n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123923
PNG
(CHEMBL164503 | Phenyl-(3,4,5-trimethoxy-benzoyl)-t...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25NO6S/c1-28-21-16-18(17-22(29-2)23(21)30-3)24(27)26(19-10-6-4-7-11-19)25(33)32-15-14-31-20-12-8-5-9-13-20/h4-13,16-17H,14-15H2,1-3H3
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n/an/an/an/a 9.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123896
PNG
((4-Chloro-benzoyl)-(4-chloro-phenyl)-thiocarbamic ...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl2N2O4S/c25-16-7-5-15(6-8-16)21(29)28(18-11-9-17(26)10-12-18)24(33)32-14-13-27-22(30)19-3-1-2-4-20(19)23(27)31/h1-12H,13-14H2
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n/an/an/an/a 25n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123904
PNG
((3,5-Dichloro-benzoyl)-phenyl-thiocarbamic acid O-...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17Cl2NO3S/c23-17-13-16(14-18(24)15-17)21(26)25(19-7-3-1-4-8-19)22(29)28-12-11-27-20-9-5-2-6-10-20/h1-10,13-15H,11-12H2
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n/an/an/an/a 8.80E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123867
PNG
(Benzoyl-(4-bromo-phenyl)-thiocarbamic acid O-[2-(1...)
Show SMILES Brc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C24H17BrN2O4S/c25-17-10-12-18(13-11-17)27(21(28)16-6-2-1-3-7-16)24(32)31-15-14-26-22(29)19-8-4-5-9-20(19)23(26)30/h1-13H,14-15H2
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n/an/an/an/a 35n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123871
PNG
((4-Chloro-phenyl)-(furan-2-carbonyl)-thiocarbamic ...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C22H15ClN2O5S/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-12-29-18)22(31)30-13-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,12H,11,13H2
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n/an/an/an/a 7n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123911
PNG
((4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-phen...)
Show SMILES Clc1ccc(cc1)C(=O)N(C(=S)OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18ClNO2S/c23-19-13-11-18(12-14-19)21(25)24(20-9-5-2-6-10-20)22(27)26-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123891
PNG
((2-Methoxy-phenyl)-(thiophene-2-carbonyl)-thiocarb...)
Show SMILES COc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O5S2/c1-29-18-10-5-4-9-17(18)25(22(28)19-11-6-14-32-19)23(31)30-13-12-24-20(26)15-7-2-3-8-16(15)21(24)27/h2-11,14H,12-13H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123873
PNG
(Benzoyl-phenyl-thiocarbamic acid O-(2-phenoxy-ethy...)
Show SMILES O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19NO3S/c24-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)22(27)26-17-16-25-20-14-8-3-9-15-20/h1-15H,16-17H2
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n/an/an/an/a 8.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123926
PNG
(CHEMBL165121 | Phenyl-(3-phenyl-acryloyl)-thiocarb...)
Show SMILES O=C(\C=C\c1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21NO3S/c26-23(17-16-20-10-4-1-5-11-20)25(21-12-6-2-7-13-21)24(29)28-19-18-27-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16+
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n/an/an/an/a 7.70E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123892
PNG
((3-Methoxy-phenyl)-(thiophene-2-carbonyl)-thiocarb...)
Show SMILES COc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O5S2/c1-29-16-7-4-6-15(14-16)25(22(28)19-10-5-13-32-19)23(31)30-12-11-24-20(26)17-8-2-3-9-18(17)21(24)27/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 3.50E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123898
PNG
((2,4-Dichloro-benzoyl)-phenyl-thiocarbamic acid O-...)
Show SMILES Clc1ccc(C(=O)N(C(=S)OCCOc2ccccc2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2NO3S/c23-16-11-12-19(20(24)15-16)21(26)25(17-7-3-1-4-8-17)22(29)28-14-13-27-18-9-5-2-6-10-18/h1-12,15H,13-14H2
PDB
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n/an/an/an/a 1.16E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123882
PNG
(Benzoyl-(4-chloro-phenyl)-thiocarbamic acid O-[2-(...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O4S/c25-17-10-12-18(13-11-17)27(21(28)16-6-2-1-3-7-16)24(32)31-15-14-26-22(29)19-8-4-5-9-20(19)23(26)30/h1-13H,14-15H2
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n/an/an/an/a 100n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123887
PNG
(Benzoyl-cyclohexyl-thiocarbamic acid O-(2-phenoxy-...)
Show SMILES O=C(N(C1CCCCC1)C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO3S/c24-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)22(27)26-17-16-25-20-14-8-3-9-15-20/h1,3-5,8-11,14-15,19H,2,6-7,12-13,16-17H2
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n/an/an/an/a 2.00E+5n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123874
PNG
((Furan-2-carbonyl)-phenyl-thiocarbamic acid O-(1-m...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c1-16(15-25-18-11-6-3-7-12-18)26-21(27)22(17-9-4-2-5-10-17)20(23)19-13-8-14-24-19/h2-14,16H,15H2,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123869
PNG
((Thiophene-2-carbonyl)-o-tolyl-thiocarbamic acid O...)
Show SMILES Cc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O4S2/c1-15-7-2-5-10-18(15)25(22(28)19-11-6-14-31-19)23(30)29-13-12-24-20(26)16-8-3-4-9-17(16)21(24)27/h2-11,14H,12-13H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123907
PNG
((4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClNO3S2/c1-15(14-25-18-6-3-2-4-7-18)26-21(27)23(17-11-9-16(22)10-12-17)20(24)19-8-5-13-28-19/h2-13,15H,14H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123888
PNG
((2-Ethyl-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES CCc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C24H20N2O4S2/c1-2-16-8-3-6-11-19(16)26(23(29)20-12-7-15-32-20)24(31)30-14-13-25-21(27)17-9-4-5-10-18(17)22(25)28/h3-12,15H,2,13-14H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123893
PNG
((3-Bromo-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES Brc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15BrN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2
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n/an/an/an/a 1.20E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123912
PNG
((4-Nitro-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H18N2O5S2/c1-15(14-27-18-6-3-2-4-7-18)28-21(29)22(20(24)19-8-5-13-30-19)16-9-11-17(12-10-16)23(25)26/h2-13,15H,14H2,1H3
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123880
PNG
((4-Chloro-phenyl)-(2-chloro-pyridine-4-carbonyl)-t...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C23H15Cl2N3O4S/c24-15-5-7-16(8-6-15)28(20(29)14-9-10-26-19(25)13-14)23(33)32-12-11-27-21(30)17-3-1-2-4-18(17)22(27)31/h1-10,13H,11-12H2
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n/an/an/an/a 6n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123910
PNG
((4-Iodo-phenyl)-(thiophene-2-carbonyl)-thiocarbami...)
Show SMILES Ic1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15IN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 10n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123917
PNG
((4-Fluoro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Fc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15FN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 100n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123900
PNG
((Naphthalene-2-carbonyl)-phenyl-thiocarbamic acid ...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C27H23NO3S/c1-20(19-30-25-14-6-3-7-15-25)31-27(32)28(24-12-4-2-5-13-24)26(29)23-17-16-21-10-8-9-11-22(21)18-23/h2-18,20H,19H2,1H3
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123906
PNG
((3-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123909
PNG
((3-Fluoro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Fc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15FN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123875
PNG
((4-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 8n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123879
PNG
(Benzoyl-phenyl-thiocarbamic acid O-(2-phenylsulfan...)
Show SMILES O=C(N(C(=S)OCCSc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19NO2S2/c24-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)22(26)25-16-17-27-20-14-8-3-9-15-20/h1-15H,16-17H2
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n/an/an/an/a>4.40E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123884
PNG
((Furan-2-carbonyl)-phenyl-thiocarbamic acid O-phen...)
Show SMILES O=C(N(C(=S)OCCc1ccccc1)c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H17NO3S/c22-19(18-12-7-14-23-18)21(17-10-5-2-6-11-17)20(25)24-15-13-16-8-3-1-4-9-16/h1-12,14H,13,15H2
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n/an/an/an/a 4.30E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123894
PNG
(CHEMBL165288 | Phenyl-(3-phenyl-acryloyl)-thiocarb...)
Show SMILES O=C(\C=C\c1ccccc1)N(C(=S)OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21NO2S/c26-23(17-16-20-10-4-1-5-11-20)25(22-14-8-3-9-15-22)24(28)27-19-18-21-12-6-2-7-13-21/h1-17H,18-19H2/b17-16+
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n/an/an/an/a 4.50E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123922
PNG
((2-Chloro-pyridine-4-carbonyl)-(4-ethoxy-phenyl)-t...)
Show SMILES CCOc1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C25H20ClN3O5S/c1-2-33-18-9-7-17(8-10-18)29(22(30)16-11-12-27-21(26)15-16)25(35)34-14-13-28-23(31)19-5-3-4-6-20(19)24(28)32/h3-12,15H,2,13-14H2,1H3
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n/an/an/an/a 500n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123915
PNG
((2-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES Clc1ccccc1N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15ClN2O4S2/c23-16-8-3-4-9-17(16)25(21(28)18-10-5-13-31-18)22(30)29-12-11-24-19(26)14-6-1-2-7-15(14)20(24)27/h1-10,13H,11-12H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123876
PNG
((Furan-2-carbonyl)-(4-nitro-phenyl)-thiocarbamic a...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
Show InChI InChI=1S/C22H15N3O7S/c26-19-16-4-1-2-5-17(16)20(27)23(19)11-13-32-22(33)24(21(28)18-6-3-12-31-18)14-7-9-15(10-8-14)25(29)30/h1-10,12H,11,13H2
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n/an/an/an/a 8n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123919
PNG
(Benzoyl-phenyl-thiocarbamic acid O-(1-methyl-2-phe...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO3S/c1-18(17-26-21-15-9-4-10-16-21)27-23(28)24(20-13-7-3-8-14-20)22(25)19-11-5-2-6-12-19/h2-16,18H,17H2,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123899
PNG
((Furan-2-carbonyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H17NO4S/c22-19(18-12-7-13-24-18)21(16-8-3-1-4-9-16)20(26)25-15-14-23-17-10-5-2-6-11-17/h1-13H,14-15H2
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n/an/an/an/a 8.40E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123886
PNG
((Thiophene-2-carbonyl)-(3-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H15F3N2O4S2/c24-23(25,26)14-5-3-6-15(13-14)28(21(31)18-9-4-12-34-18)22(33)32-11-10-27-19(29)16-7-1-2-8-17(16)20(27)30/h1-9,12-13H,10-11H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123924
PNG
((3-Acetyl-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES CC(=O)c1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C24H18N2O5S2/c1-15(27)16-6-4-7-17(14-16)26(23(30)20-10-5-13-33-20)24(32)31-12-11-25-21(28)18-8-2-3-9-19(18)22(25)29/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123901
PNG
(CHEMBL351212 | O-butyl O-(1-methyl-2-phenoxyethyl)...)
Show SMILES CCCCOC(=O)N(C(=S)OC(C)COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-3-4-15-24-20(23)22(18-11-7-5-8-12-18)21(27)26-17(2)16-25-19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3
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n/an/an/an/a 4.70E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123908
PNG
(Acetic acid 2-(2-phenoxy-ethoxythiocarbonyl)-pheny...)
Show SMILES CC(=O)Oc1ccccc1C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21NO5S/c1-18(26)30-22-15-9-8-14-21(22)23(27)25(19-10-4-2-5-11-19)24(31)29-17-16-28-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
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n/an/an/an/a 9.50E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123921
PNG
((3-Nitro-benzoyl)-phenyl-thiocarbamic acid O-(1-me...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O5S/c1-17(16-29-21-13-6-3-7-14-21)30-23(31)24(19-10-4-2-5-11-19)22(26)18-9-8-12-20(15-18)25(27)28/h2-15,17H,16H2,1H3
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n/an/an/an/a 3.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123889
PNG
(CHEMBL164697 | Phenyl-(tetrahydro-furan-2-carbonyl...)
Show SMILES O=C(C1CCCO1)N(C(=S)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H19NO3S/c21-18(17-12-7-13-22-17)20(16-10-5-2-6-11-16)19(24)23-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
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n/an/an/an/a 5.80E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123914
PNG
((2-Phenoxy-acetyl)-phenyl-thiocarbamic acid O-(2-p...)
Show SMILES O=C(COc1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21NO4S/c25-22(18-28-21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)23(29)27-17-16-26-20-12-6-2-7-13-20/h1-15H,16-18H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123878
PNG
((4-Chloro-3-nitro-benzoyl)-phenyl-thiocarbamic aci...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17ClN2O5S/c23-19-12-11-16(15-20(19)25(27)28)21(26)24(17-7-3-1-4-8-17)22(31)30-14-13-29-18-9-5-2-6-10-18/h1-12,15H,13-14H2
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n/an/an/an/a 7.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123903
PNG
(CHEMBL168044 | O-(1-methyl-2-phenoxyethyl) O-propy...)
Show SMILES CCCOC(=O)N(C(=S)OC(C)COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-3-14-23-19(22)21(17-10-6-4-7-11-17)20(26)25-16(2)15-24-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3
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n/an/an/an/a 1.31E+5n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123872
PNG
((2-Phenoxy-acetyl)-phenyl-thiocarbamic acid O-(1-m...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23NO4S/c1-19(17-27-21-13-7-3-8-14-21)29-24(30)25(20-11-5-2-6-12-20)23(26)18-28-22-15-9-4-10-16-22/h2-16,19H,17-18H2,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123877
PNG
(Benzoyl-phenyl-thiocarbamic acid O-furan-2-ylmethy...)
Show SMILES O=C(N(C(=S)OCc1ccco1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-18(15-8-3-1-4-9-15)20(16-10-5-2-6-11-16)19(24)23-14-17-12-7-13-22-17/h1-13H,14H2
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n/an/an/an/a>3.83E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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/an/an/a 20n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123925
PNG
((Thiophene-2-carbonyl)-m-tolyl-thiocarbamic acid O...)
Show SMILES Cc1cccc(c1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C23H18N2O4S2/c1-15-6-4-7-16(14-15)25(22(28)19-10-5-13-31-19)23(30)29-12-11-24-20(26)17-8-2-3-9-18(17)21(24)27/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123897
PNG
((3-Chloro-phenyl)-(thiophene-2-carbonyl)-thiocarba...)
Show SMILES CC(COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H18ClNO3S2/c1-15(14-25-18-9-3-2-4-10-18)26-21(27)23(17-8-5-7-16(22)13-17)20(24)19-11-6-12-28-19/h2-13,15H,14H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123913
PNG
((4-Diethylamino-phenyl)-(thiophene-2-carbonyl)-thi...)
Show SMILES CCN(CC)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C26H25N3O4S2/c1-3-27(4-2)18-11-13-19(14-12-18)29(25(32)22-10-7-17-35-22)26(34)33-16-15-28-23(30)20-8-5-6-9-21(20)24(28)31/h5-14,17H,3-4,15-16H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123902
PNG
((4-Nitro-phenyl)-(thiophene-2-carbonyl)-thiocarbam...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1
Show InChI InChI=1S/C22H15N3O6S2/c26-19-16-4-1-2-5-17(16)20(27)23(19)11-12-31-22(32)24(21(28)18-6-3-13-33-18)14-7-9-15(10-8-14)25(29)30/h1-10,13H,11-12H2
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n/an/an/an/a 10n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50123920
PNG
(CHEMBL168111 | Phenyl-(thiophene-2-carbonyl)-thioc...)
Show SMILES O=C(N(C(=S)OCCOc1ccccc1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C20H17NO3S2/c22-19(18-12-7-15-26-18)21(16-8-3-1-4-9-16)20(25)24-14-13-23-17-10-5-2-6-11-17/h1-12,15H,13-14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.60E+3n/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method


J Med Chem 46: 768-81 (2003)


Article DOI: 10.1021/jm0209984
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%