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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'tran' and Initial = 'lo'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286545
PNG
(3-Benzenesulfonyl-5-chloro-2-(1H-imidazol-2-yl)-1H...)
Show SMILES Clc1ccc2[nH]c(-c3ncc[nH]3)c(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50230553
PNG
(3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286549
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...)
Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)
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n/an/a 5.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286550
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-1H-imida...)
Show SMILES Clc1ccc2[nH]c(C3=NCCN3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H14ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-7,10,21H,8-9H2,(H,19,20)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286551
PNG
(2-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4,5,6...)
Show SMILES Clc1ccc2[nH]c(-c3nc4CCCCc4[nH]3)c(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2S/c22-13-10-11-16-15(12-13)20(28(26,27)14-6-2-1-3-7-14)19(23-16)21-24-17-8-4-5-9-18(17)25-21/h1-3,6-7,10-12,23H,4-5,8-9H2,(H,24,25)
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50230553
PNG
(3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286543
PNG
(3-Benzenesulfonyl-5-chloro-2-(4-methyl-5-propyl-1H...)
Show SMILES CCCc1[nH]c(nc1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-3-7-17-13(2)23-21(25-17)19-20(16-12-14(22)10-11-18(16)24-19)28(26,27)15-8-5-4-6-9-15/h4-6,8-12,24H,3,7H2,1-2H3,(H,23,25)
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n/an/a 9.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286548
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-diethyl-1H-imida...)
Show SMILES CCc1nc([nH]c1CC)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-3-16-17(4-2)25-21(24-16)19-20(15-12-13(22)10-11-18(15)23-19)28(26,27)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286542
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-thiazol-...)
Show SMILES Clc1ccc2[nH]c(C3=NCCS3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H13ClN2O2S2/c18-11-6-7-14-13(10-11)16(15(20-14)17-19-8-9-23-17)24(21,22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286546
PNG
(4-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4H-1l...)
Show SMILES Nc1nc(cs1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S2/c18-10-6-7-13-12(8-10)16(15(20-13)14-9-24-17(19)21-14)25(22,23)11-4-2-1-3-5-11/h1-9,20H,(H2,19,21)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286549
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...)
Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286545
PNG
(3-Benzenesulfonyl-5-chloro-2-(1H-imidazol-2-yl)-1H...)
Show SMILES Clc1ccc2[nH]c(-c3ncc[nH]3)c(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286552
PNG
((3aS,7aS)-2-(3-Benzenesulfonyl-5-chloro-1H-indol-2...)
Show SMILES Clc1ccc2[nH]c(C3=N[C@H]4CCCC[C@@H]4N3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C21H20ClN3O2S/c22-13-10-11-16-15(12-13)20(28(26,27)14-6-2-1-3-7-14)19(23-16)21-24-17-8-4-5-9-18(17)25-21/h1-3,6-7,10-12,17-18,23H,4-5,8-9H2,(H,24,25)/t17-,18-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286544
PNG
(3-Benzenesulfonyl-5-chloro-2-(5,5-dimethyl-4,5-dih...)
Show SMILES CC1(C)CN=C(N1)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C19H18ClN3O2S/c1-19(2)11-21-18(23-19)16-17(14-10-12(20)8-9-15(14)22-16)26(24,25)13-6-4-3-5-7-13/h3-10,22H,11H2,1-2H3,(H,21,23)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50023914
PNG
(CHEMBL148241)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C19H18O5/c1-2-24-18-9-8-14(10-13-6-4-3-5-7-13)11-15(18)16(20)12-17(21)19(22)23/h3-9,11H,2,10,12H2,1H3,(H,22,23)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50023916
PNG
(CHEMBL145335)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2cccc(Cl)c2)c1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-2-4-12(9-14)7-11-3-1-5-13(8-11)15(19)10-16(20)17(21)22/h1-6,8-9H,7,10H2,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095515
PNG
(4-[3-(2-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1
Show InChI InChI=1S/C17H13FO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50023917
PNG
(CHEMBL147147)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C17H13FO4/c18-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50023918
PNG
(CHEMBL357909)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2Cl)c1
Show InChI InChI=1S/C17H13ClO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50176132
PNG
((Z)-4-(5-Benzyl-2-methoxy-phenyl)-2-hydroxy-4-oxo-...)
Show SMILES COc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C18H16O5/c1-23-17-8-7-13(9-12-5-3-2-4-6-12)10-14(17)15(19)11-16(20)18(21)22/h2-8,10H,9,11H2,1H3,(H,21,22)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50023915
PNG
(CHEMBL343646)
Show SMILES CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C20H20O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against recombinant HIV-1 Integrase (0.1 uM) in strand transfer enzyme assay


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23400
PNG
((2Z)-4-(3-benzylphenyl)-2-hydroxy-4-oxobut-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,20,21)
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n/an/a<100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095510
PNG
(4-(3-Benzyl-5-methoxy-phenyl)-2,4-dioxo-butyric ac...)
Show SMILES COc1cc(Cc2ccccc2)cc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C18H16O5/c1-23-15-9-13(7-12-5-3-2-4-6-12)8-14(10-15)16(19)11-17(20)18(21)22/h2-6,8-10H,7,11H2,1H3,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095516
PNG
(4-(3-Benzyl-4-methoxy-phenyl)-2,4-dioxo-butyric ac...)
Show SMILES COc1ccc(cc1Cc1ccccc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C18H16O5/c1-23-17-8-7-13(15(19)11-16(20)18(21)22)10-14(17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095513
PNG
(4-(5-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1csc(Cc2ccccc2)c1
Show InChI InChI=1S/C15H12O4S/c16-13(8-14(17)15(18)19)11-7-12(20-9-11)6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,18,19)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095511
PNG
(4-(2-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccccc1
Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)11-6-7-20-14(11)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286543
PNG
(3-Benzenesulfonyl-5-chloro-2-(4-methyl-5-propyl-1H...)
Show SMILES CCCc1[nH]c(nc1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-3-7-17-13(2)23-21(25-17)19-20(16-12-14(22)10-11-18(16)24-19)28(26,27)15-8-5-4-6-9-15/h4-6,8-12,24H,3,7H2,1-2H3,(H,23,25)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095507
PNG
(4-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-butyric acid...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccccc1
Show InChI InChI=1S/C15H13NO4/c17-13(9-14(18)15(19)20)12-7-4-8-16(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286546
PNG
(4-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4H-1l...)
Show SMILES Nc1nc(cs1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S2/c18-10-6-7-13-12(8-10)16(15(20-13)14-9-24-17(19)21-14)25(22,23)11-4-2-1-3-5-11/h1-9,20H,(H2,19,21)
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n/an/a 222n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095504
PNG
(4-[3-(3-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C17H13FO4/c18-14-6-2-4-12(9-14)7-11-3-1-5-13(8-11)15(19)10-16(20)17(21)22/h1-6,8-9H,7,10H2,(H,21,22)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286550
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-1H-imida...)
Show SMILES Clc1ccc2[nH]c(C3=NCCN3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H14ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-7,10,21H,8-9H2,(H,19,20)
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n/an/a 358n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095502
PNG
(4-(5-Benzyl-thiophen-2-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1
Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)14-7-6-11(20-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095508
PNG
(4-(1-Benzyl-1H-pyrrol-3-yl)-2,4-dioxo-butyric acid...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccn(Cc2ccccc2)c1
Show InChI InChI=1S/C15H13NO4/c17-13(8-14(18)15(19)20)12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095500
PNG
(4-[3-(4-Chloro-benzyl)-phenyl]-2,4-dioxo-butyric a...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286545
PNG
(3-Benzenesulfonyl-5-chloro-2-(1H-imidazol-2-yl)-1H...)
Show SMILES Clc1ccc2[nH]c(-c3ncc[nH]3)c(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
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n/an/a 1.07E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N/Y181C double mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286542
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-thiazol-...)
Show SMILES Clc1ccc2[nH]c(C3=NCCS3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H13ClN2O2S2/c18-11-6-7-14-13(10-11)16(15(20-14)17-19-8-9-23-17)24(21,22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
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n/an/a 1.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286547
PNG
(3-Benzenesulfonyl-5-chloro-2-(1,4,5,6-tetrahydro-p...)
Show SMILES Clc1ccc2[nH]c(c(c2c1)S(=O)(=O)c1ccccc1)C1=NCCCN1 |t:22|
Show InChI InChI=1S/C18H16ClN3O2S/c19-12-7-8-15-14(11-12)17(16(22-15)18-20-9-4-10-21-18)25(23,24)13-5-2-1-3-6-13/h1-3,5-8,11,22H,4,9-10H2,(H,20,21)
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n/an/a 2.29E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50286553
PNG
(3-Benzenesulfonyl-5-chloro-2-imidazol-1-yl-1H-indo...)
Show SMILES Clc1ccc2[nH]c(c(c2c1)S(=O)(=O)c1ccccc1)-n1ccnc1
Show InChI InChI=1S/C17H12ClN3O2S/c18-12-6-7-15-14(10-12)16(17(20-15)21-9-8-19-11-21)24(22,23)13-4-2-1-3-5-13/h1-11,20H
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n/an/a 2.39E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095503
PNG
(4-(2-Benzyl-phenyl)-2,4-dioxo-butyric acid | CHEMB...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 5.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286549
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...)
Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N/Y181C double mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286542
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-thiazol-...)
Show SMILES Clc1ccc2[nH]c(C3=NCCS3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H13ClN2O2S2/c18-11-6-7-14-13(10-11)16(15(20-14)17-19-8-9-23-17)24(21,22)12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286549
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dimethyl-1H-imid...)
Show SMILES Cc1nc([nH]c1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286545
PNG
(3-Benzenesulfonyl-5-chloro-2-(1H-imidazol-2-yl)-1H...)
Show SMILES Clc1ccc2[nH]c(-c3ncc[nH]3)c(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286550
PNG
(3-Benzenesulfonyl-5-chloro-2-(4,5-dihydro-1H-imida...)
Show SMILES Clc1ccc2[nH]c(C3=NCCN3)c(c2c1)S(=O)(=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C17H14ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-7,10,21H,8-9H2,(H,19,20)
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n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286543
PNG
(3-Benzenesulfonyl-5-chloro-2-(4-methyl-5-propyl-1H...)
Show SMILES CCCc1[nH]c(nc1C)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2S/c1-3-7-17-13(2)23-21(25-17)19-20(16-12-14(22)10-11-18(16)24-19)28(26,27)15-8-5-4-6-9-15/h4-6,8-12,24H,3,7H2,1-2H3,(H,23,25)
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Article
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50230553
PNG
(3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...)
Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)
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Article
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50286546
PNG
(4-(3-Benzenesulfonyl-5-chloro-1H-indol-2-yl)-4H-1l...)
Show SMILES Nc1nc(cs1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H12ClN3O2S2/c18-10-6-7-13-12(8-10)16(15(20-13)14-9-24-17(19)21-14)25(22,23)11-4-2-1-3-5-11/h1-9,20H,(H2,19,21)
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Article
n/an/a>3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 491-496 (1995)


Article DOI: 10.1016/0960-894X(95)00059-3
BindingDB Entry DOI: 10.7270/Q28052KF
More data for this
Ligand-Target Pair