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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50045697   
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
Integrase


(Human immunodeficiency virus 1)
BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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n/an/a 7n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076169
PNG
(CHEMBL3415853)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-17-8-6-14(7-9-17)12-23-13-16(15-4-2-1-3-5-15)10-18(23)19(24)11-20(25)21(26)27/h1-11,13,25H,12H2,(H,26,27)/b20-11-
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n/an/a 19n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076179
PNG
(CHEMBL3415843)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-16-8-6-14(7-9-16)11-23-12-17(15-4-2-1-3-5-15)18(13-23)19(24)10-20(25)21(26)27/h1-10,12-13,25H,11H2,(H,26,27)/b20-10-
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n/an/a 22n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076177
PNG
(CHEMBL3415845)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C15H12FNO4/c16-12-3-1-10(2-4-12)8-17-6-5-11(9-17)13(18)7-14(19)15(20)21/h1-7,9,19H,8H2,(H,20,21)/b14-7-
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n/an/a 24n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076176
PNG
(CHEMBL3415846)
Show SMILES N\C(=C/C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H17FN2O3/c22-16-8-6-14(7-9-16)11-24-12-17(15-4-2-1-3-5-15)18(13-24)20(25)10-19(23)21(26)27/h1-10,12-13H,11,23H2,(H,26,27)/b19-10-
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n/an/a 43n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
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 57n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076175
PNG
(CHEMBL3415847)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H18FNO5/c25-19-8-6-17(7-9-19)23(29)18-12-20(10-11-21(27)13-22(28)24(30)31)26(15-18)14-16-4-2-1-3-5-16/h1-13,15,28H,14H2,(H,30,31)/b11-10+,22-13-
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n/an/a 63n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076172
PNG
(CHEMBL3415850)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18FNO4/c24-19-8-6-16(7-9-19)14-25-15-18(17-4-2-1-3-5-17)12-20(25)10-11-21(26)13-22(27)23(28)29/h1-13,15,27H,14H2,(H,28,29)/b11-10+,22-13-
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n/an/a 66n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
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 80n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 HXB2 integrase using 32P-labelled oligonucleotide as substrate after 1 hr by phosphorimager analysis


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076168
PNG
(CHEMBL3415854)
Show SMILES O\C(=C/C(=O)c1cccn1Cc1ccc(F)cc1)c1nc[nH]n1
Show InChI InChI=1S/C16H13FN4O2/c17-12-5-3-11(4-6-12)9-21-7-1-2-13(21)14(22)8-15(23)16-18-10-19-20-16/h1-8,10,23H,9H2,(H,18,19,20)/b15-8-
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n/an/a 110n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076167
PNG
(CHEMBL3415832)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H20FNO4/c1-2-29-23(28)22(27)12-21(26)20-15-25(13-16-8-10-18(24)11-9-16)14-19(20)17-6-4-3-5-7-17/h3-12,14-15,27H,2,13H2,1H3/b22-12-
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n/an/a 420n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076181
PNG
(CHEMBL3415841)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-2-23-17(22)16(21)10-15(20)14-4-3-9-19(14)11-12-5-7-13(18)8-6-12/h3-10,21H,2,11H2,1H3/b16-10-
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n/an/a 510n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076174
PNG
(CHEMBL3415848)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H16FNO5/c24-17-8-6-15(7-9-17)22(28)16-12-19(10-11-20(26)13-21(27)23(29)30)25(14-16)18-4-2-1-3-5-18/h1-14,27H,(H,29,30)/b11-10+,21-13-
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n/an/a 590n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076146
PNG
(CHEMBL3415856)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cccn1Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H17F2NO4/c1-2-26-19(25)18(24)11-15(23)7-6-14-4-3-9-22(14)12-13-5-8-16(20)17(21)10-13/h3-11,24H,2,12H2,1H3/b7-6+,18-11-
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n/an/a 600n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076170
PNG
(CHEMBL3415852)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H18FNO4/c24-19-9-6-16(7-10-19)13-25-14-18(8-11-20(26)12-22(27)23(28)29)21(15-25)17-4-2-1-3-5-17/h1-12,14-15,27H,13H2,(H,28,29)/b11-8+,22-12-
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n/an/a 730n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076180
PNG
(CHEMBL3415842)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20FNO4/c1-2-29-23(28)22(27)13-21(26)20-12-18(17-6-4-3-5-7-17)15-25(20)14-16-8-10-19(24)11-9-16/h3-13,15,27H,2,14H2,1H3/b22-13-
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n/an/a 790n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076164
PNG
(CHEMBL3415836)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H20FNO5/c1-2-32-25(31)23(29)15-22(28)13-12-21-14-18(16-27(21)20-6-4-3-5-7-20)24(30)17-8-10-19(26)11-9-17/h3-16,29H,2H2,1H3/b13-12+,23-15-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076166
PNG
(CHEMBL3415833)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C17H16FNO4/c1-2-23-17(22)16(21)9-15(20)13-7-8-19(11-13)10-12-3-5-14(18)6-4-12/h3-9,11,21H,2,10H2,1H3/b16-9-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076164
PNG
(CHEMBL3415836)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1-c1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H20FNO5/c1-2-32-25(31)23(29)15-22(28)13-12-21-14-18(16-27(21)20-6-4-3-5-7-20)24(30)17-8-10-19(26)11-9-17/h3-16,29H,2H2,1H3/b13-12+,23-15-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM33409
PNG
(alpha, gamma-diketo acid, 1)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C15H11NO5S/c17-10(8-11(18)15(20)21)12-6-7-13(22-12)16-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)(H,20,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076176
PNG
(CHEMBL3415846)
Show SMILES N\C(=C/C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H17FN2O3/c22-16-8-6-14(7-9-16)11-24-12-17(15-4-2-1-3-5-15)18(13-24)20(25)10-19(23)21(26)27/h1-10,12-13H,11,23H2,(H,26,27)/b19-10-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50004417
PNG
(CHEMBL3238122)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H30FN3O5/c1-3-30-11-13-31(14-12-30)21-9-10-22-24(15-21)32(17-19-5-7-20(29)8-6-19)18-23(27(22)35)25(33)16-26(34)28(36)37-4-2/h5-10,15-16,18,34H,3-4,11-14,17H2,1-2H3/b26-16-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076148
PNG
(CHEMBL3415838)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H22FNO4/c1-2-31-25(30)24(29)15-23(28)13-12-22-14-20(19-6-4-3-5-7-19)17-27(22)16-18-8-10-21(26)11-9-18/h3-15,17,29H,2,16H2,1H3/b13-12+,24-15-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076146
PNG
(CHEMBL3415856)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cccn1Cc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H17F2NO4/c1-2-26-19(25)18(24)11-15(23)7-6-14-4-3-9-22(14)12-13-5-8-16(20)17(21)10-13/h3-11,24H,2,12H2,1H3/b7-6+,18-11-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076182
PNG
(CHEMBL3415840)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C25H22FNO4/c1-2-31-25(30)24(29)14-22(28)13-10-20-16-27(15-18-8-11-21(26)12-9-18)17-23(20)19-6-4-3-5-7-19/h3-14,16-17,29H,2,15H2,1H3/b13-10+,24-14-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM33409
PNG
(alpha, gamma-diketo acid, 1)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C15H11NO5S/c17-10(8-11(18)15(20)21)12-6-7-13(22-12)16-14(19)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)(H,20,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076165
PNG
(CHEMBL3415835)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H22FNO5/c1-2-33-26(32)24(30)15-23(29)13-12-22-14-20(25(31)19-8-10-21(27)11-9-19)17-28(22)16-18-6-4-3-5-7-18/h3-15,17,30H,2,16H2,1H3/b13-12+,24-15-
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076180
PNG
(CHEMBL3415842)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20FNO4/c1-2-29-23(28)22(27)13-21(26)20-12-18(17-6-4-3-5-7-17)15-25(20)14-16-8-10-19(24)11-9-16/h3-13,15,27H,2,14H2,1H3/b22-13-
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076170
PNG
(CHEMBL3415852)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H18FNO4/c24-19-9-6-16(7-10-19)13-25-14-18(8-11-20(26)12-22(27)23(28)29)21(15-25)17-4-2-1-3-5-17/h1-12,14-15,27H,13H2,(H,28,29)/b11-8+,22-12-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076179
PNG
(CHEMBL3415843)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-16-8-6-14(7-9-16)11-23-12-17(15-4-2-1-3-5-15)18(13-23)19(24)10-20(25)21(26)27/h1-10,12-13,25H,11H2,(H,26,27)/b20-10-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076175
PNG
(CHEMBL3415847)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccccc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H18FNO5/c25-19-8-6-17(7-9-19)23(29)18-12-20(10-11-21(27)13-22(28)24(30)31)26(15-18)14-16-4-2-1-3-5-16/h1-13,15,28H,14H2,(H,30,31)/b11-10+,22-13-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076125
PNG
(CHEMBL3415855)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H18FNO4/c1-2-25-19(24)18(23)12-17(22)10-9-16-4-3-11-21(16)13-14-5-7-15(20)8-6-14/h3-12,23H,2,13H2,1H3/b10-9+,18-12-
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076167
PNG
(CHEMBL3415832)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H20FNO4/c1-2-29-23(28)22(27)12-21(26)20-15-25(13-16-8-10-18(24)11-9-16)14-19(20)17-6-4-3-5-7-17/h3-12,14-15,27H,2,13H2,1H3/b22-12-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076148
PNG
(CHEMBL3415838)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C25H22FNO4/c1-2-31-25(30)24(29)15-23(28)13-12-22-14-20(19-6-4-3-5-7-19)17-27(22)16-18-8-10-21(26)11-9-18/h3-15,17,29H,2,16H2,1H3/b13-12+,24-15-
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n/an/a 1.34E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076169
PNG
(CHEMBL3415853)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-17-8-6-14(7-9-17)12-23-13-16(15-4-2-1-3-5-15)10-18(23)19(24)11-20(25)21(26)27/h1-11,13,25H,12H2,(H,26,27)/b20-11-
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076173
PNG
(CHEMBL3415849)
Show SMILES Cn1cc(cc1\C=C\C(=O)\C=C(/O)C(O)=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO5/c1-20-10-12(17(23)11-2-4-13(19)5-3-11)8-14(20)6-7-15(21)9-16(22)18(24)25/h2-10,22H,1H3,(H,24,25)/b7-6+,16-9-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076181
PNG
(CHEMBL3415841)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-2-23-17(22)16(21)10-15(20)14-4-3-9-19(14)11-12-5-7-13(18)8-6-12/h3-10,21H,2,11H2,1H3/b16-10-
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n/an/a 2.10E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076182
PNG
(CHEMBL3415840)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C25H22FNO4/c1-2-31-25(30)24(29)14-22(28)13-10-20-16-27(15-18-8-11-21(26)12-9-18)17-23(20)19-6-4-3-5-7-19/h3-14,16-17,29H,2,15H2,1H3/b13-10+,24-14-
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n/an/a>2.10E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076172
PNG
(CHEMBL3415850)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18FNO4/c24-19-8-6-16(7-9-19)14-25-15-18(17-4-2-1-3-5-17)12-20(25)10-11-21(26)13-22(27)23(28)29/h1-13,15,27H,14H2,(H,28,29)/b11-10+,22-13-
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076171
PNG
(CHEMBL3415851)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C17H14FNO4/c18-14-4-1-12(2-5-14)10-19-8-7-13(11-19)3-6-15(20)9-16(21)17(22)23/h1-9,11,21H,10H2,(H,22,23)/b6-3+,16-9-
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076168
PNG
(CHEMBL3415854)
Show SMILES O\C(=C/C(=O)c1cccn1Cc1ccc(F)cc1)c1nc[nH]n1
Show InChI InChI=1S/C16H13FN4O2/c17-12-5-3-11(4-6-12)9-21-7-1-2-13(21)14(22)8-15(23)16-18-10-19-20-16/h1-8,10,23H,9H2,(H,18,19,20)/b15-8-
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004417
PNG
(CHEMBL3238122)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H30FN3O5/c1-3-30-11-13-31(14-12-30)21-9-10-22-24(15-21)32(17-19-5-7-20(29)8-6-19)18-23(27(22)35)25(33)16-26(34)28(36)37-4-2/h5-10,15-16,18,34H,3-4,11-14,17H2,1-2H3/b26-16-
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n/an/a 2.62E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076149
PNG
(CHEMBL3415837)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1cc(cn1C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FNO5/c1-3-27-20(26)18(24)11-17(23)9-8-16-10-14(12-22(16)2)19(25)13-4-6-15(21)7-5-13/h4-12,24H,3H2,1-2H3/b9-8+,18-11-
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076177
PNG
(CHEMBL3415845)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C15H12FNO4/c16-12-3-1-10(2-4-12)8-17-6-5-11(9-17)13(18)7-14(19)15(20)21/h1-7,9,19H,8H2,(H,20,21)/b14-7-
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(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 5.40E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076147
PNG
(CHEMBL3415839)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H18FNO4/c1-2-25-19(24)18(23)11-17(22)8-5-15-9-10-21(13-15)12-14-3-6-16(20)7-4-14/h3-11,13,23H,2,12H2,1H3/b8-5+,18-11-
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076178
PNG
(CHEMBL3415844)
Show SMILES C\C(=C(\O)C(O)=O)C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C22H18FNO4/c1-14(21(26)22(27)28)20(25)19-13-24(11-15-7-9-17(23)10-8-15)12-18(19)16-5-3-2-4-6-16/h2-10,12-13,26H,11H2,1H3,(H,27,28)/b21-14-
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n/an/a 6.40E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076171
PNG
(CHEMBL3415851)
Show SMILES OC(=O)C(\O)=C\C(=O)\C=C\c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C17H14FNO4/c18-14-4-1-12(2-5-14)10-19-8-7-13(11-19)3-6-15(20)9-16(21)17(22)23/h1-9,11,21H,10H2,(H,22,23)/b6-3+,16-9-
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n/an/a 6.90E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50076183
PNG
(CHEMBL3415834)
Show SMILES CCOC(=O)C(\N)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-2-29-23(28)21(25)12-22(27)20-15-26(13-16-8-10-18(24)11-9-16)14-19(20)17-6-4-3-5-7-17/h3-12,14-15H,2,13,25H2,1H3/b21-12-
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n/an/a 7.20E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50076147
PNG
(CHEMBL3415839)
Show SMILES CCOC(=O)C(\O)=C\C(=O)\C=C\c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H18FNO4/c1-2-25-19(24)18(23)11-17(22)8-5-15-9-10-21(13-15)12-14-3-6-16(20)7-4-14/h3-11,13,23H,2,12H2,1H3/b8-5+,18-11-
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay


J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
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