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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'slater' and Initial = 'mj'   
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
Genome polyprotein


(Human rhinovirus B)		BDBM50081842
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CC(=O)C(C(=O)OCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:15|
Show InChI InChI=1S/C21H15ClO5/c1-12(23)16(21(26)27-11-13-7-3-2-4-8-13)17-18(22)20(25)15-10-6-5-9-14(15)19(17)24/h2-10,16H,11H2,1H3
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n/an/a 700n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by HPLC assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081846
PNG
(2-(1-Acetyl-2-oxo-propyl)-3-chloro-[1,4]naphthoqui...)
Show SMILES CC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:7|
Show InChI InChI=1S/C15H11ClO4/c1-7(17)11(8(2)18)12-13(16)15(20)10-6-4-3-5-9(10)14(12)19/h3-6,11H,1-2H3
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n/an/a 720n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by HPLC assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081842
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CC(=O)C(C(=O)OCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:15|
Show InChI InChI=1S/C21H15ClO5/c1-12(23)16(21(26)27-11-13-7-3-2-4-8-13)17-18(22)20(25)15-10-6-5-9-14(15)19(17)24/h2-10,16H,11H2,1H3
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n/an/a 730n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081846
PNG
(2-(1-Acetyl-2-oxo-propyl)-3-chloro-[1,4]naphthoqui...)
Show SMILES CC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:7|
Show InChI InChI=1S/C15H11ClO4/c1-7(17)11(8(2)18)12-13(16)15(20)10-6-4-3-5-9(10)14(12)19/h3-6,11H,1-2H3
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n/an/a 800n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Protein Rev


(Human immunodeficiency virus 1)		BDBM50503730
PNG
(CHEMBL4443278)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)O[C@H](CNCc2cccc(N)c2)[C@@H](O)[C@H](O)[C@H]1N |r|
Show InChI InChI=1S/C19H33N5O6/c20-9-3-1-2-8(4-9)6-24-7-12-15(26)16(27)13(23)19(29-12)30-18-11(22)5-10(21)14(25)17(18)28/h1-4,10-19,24-28H,5-7,20-23H2/t10-,11+,12-,13-,14+,15-,16-,17-,18-,19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...

Bioorg Med Chem Lett 29: 339-341 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.004
BindingDB Entry DOI: 10.7270/Q2Z60S9X
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081843
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CCOC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
Show InChI InChI=1S/C16H13ClO5/c1-3-22-16(21)11(8(2)18)12-13(17)15(20)10-7-5-4-6-9(10)14(12)19/h4-7,11H,3H2,1-2H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071777
PNG
(5-bromo-2-({6-[(4-bromo-2-carboxyphenyl)amino]-6-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C20H18Br2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071776
PNG
(2-({6-[(2-carboxy-4-chlorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C20H18Cl2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081845
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CC(C)OC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
Show InChI InChI=1S/C17H15ClO5/c1-8(2)23-17(22)12(9(3)19)13-14(18)16(21)11-7-5-4-6-10(11)15(13)20/h4-8,12H,1-3H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071777
PNG
(5-bromo-2-({6-[(4-bromo-2-carboxyphenyl)amino]-6-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C20H18Br2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071766
PNG
(5-bromo-2-[5-(4-bromo-2-carboxyphenylcarbamoyl)pen...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H20Br2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM24774
PNG
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)
Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
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n/an/a 3.90E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071768
PNG
(2-({6-[(2-carboxy-4-iodophenyl)amino]-6-oxohexanoy...)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)CCCCC(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C20H18I2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 4.10E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 4.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071766
PNG
(5-bromo-2-[5-(4-bromo-2-carboxyphenylcarbamoyl)pen...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H20Br2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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n/an/a 4.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081843
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CCOC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
Show InChI InChI=1S/C16H13ClO5/c1-3-22-16(21)11(8(2)18)12-13(17)15(20)10-7-5-4-6-9(10)14(12)19/h4-7,11H,3H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by HPLC assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM24774
PNG
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)
Show SMILES ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
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n/an/a 5.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by HPLC assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071771
PNG
(5-bromo-2-{[(5-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H13Br2N3O6/c22-11-2-5-15(13(7-11)20(29)30)25-18(27)10-1-4-17(24-9-10)19(28)26-16-6-3-12(23)8-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Protein Rev


(Human immunodeficiency virus 1)		BDBM50248131
PNG
(CHEMBL3754093)
Show SMILES [H]C1(OC2C(O)C(N)CC(N)C2OC2([H])OC(CN)C(O)C(O)C2N)OC(CO)C(OC2([H])OC(CN)C(O)C(O)C2N)C1O
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8?,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...

Bioorg Med Chem Lett 29: 339-341 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.004
BindingDB Entry DOI: 10.7270/Q2Z60S9X
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071767
PNG
(2-({6-[(2-carboxy-4-hydroxyphenyl)amino]-6-oxohexa...)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)CCCCC(=O)Nc1ccc(O)cc1C(O)=O
Show InChI InChI=1S/C20H20N2O8/c23-11-5-7-15(13(9-11)19(27)28)21-17(25)3-1-2-4-18(26)22-16-8-6-12(24)10-14(16)20(29)30/h5-10,23-24H,1-4H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)
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n/an/a 6.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071779
PNG
(2-[4-(2-carboxy-4-methylsulfanylphenylcarbamoyl)bu...)
Show SMILES CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6S2/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 6.90E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071762
PNG
(5-bromo-2-({5-[(4-bromo-2-carboxyphenyl)amino]-5-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C19H16Br2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
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n/an/a 7.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071761
PNG
(5-bromo-2-[6-(4-bromo-2-carboxyphenylcarbamoyl)hex...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H22Br2N2O6/c23-13-7-9-17(15(11-13)21(29)30)25-19(27)5-3-1-2-4-6-20(28)26-18-10-8-14(24)12-16(18)22(31)32/h7-12H,1-6H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 7.40E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 microg/ml

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071778
PNG
(2-[4-(2-carboxy-4-trifluoromethylphenylcarbamoyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O6/c23-21(24,25)11-5-7-15(13(9-11)19(33)34)29-17(31)3-1-2-4-18(32)30-16-8-6-12(22(26,27)28)10-14(16)20(35)36/h5-10H,1-4H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
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n/an/a 8.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071768
PNG
(2-({6-[(2-carboxy-4-iodophenyl)amino]-6-oxohexanoy...)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)CCCCC(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C20H18I2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 8.50E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071776
PNG
(2-({6-[(2-carboxy-4-chlorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C20H18Cl2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 8.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071774
PNG
(2-({5-[(2-carboxy-4-chlorophenyl)amino]-5-oxopenta...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C19H16Cl2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
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n/an/a 8.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071763
PNG
(2-({6-[(2-carboxyphenyl)amino]-6-oxohexanoyl}amino...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N2O6/c23-17(21-15-9-3-1-7-13(15)19(25)26)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20(27)28/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071773
PNG
(2-[5-(2-carboxy-4-chlorophenylcarbamoyl)pentylcarb...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071773
PNG
(2-[5-(2-carboxy-4-chlorophenylcarbamoyl)pentylcarb...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071763
PNG
(2-({6-[(2-carboxyphenyl)amino]-6-oxohexanoyl}amino...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N2O6/c23-17(21-15-9-3-1-7-13(15)19(25)26)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20(27)28/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081845
PNG
(2-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...)
Show SMILES CC(C)OC(=O)C(C(C)=O)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
Show InChI InChI=1S/C17H15ClO5/c1-8(2)23-17(22)12(9(3)19)13-14(18)16(21)11-7-5-4-6-10(11)15(13)20/h4-8,12H,1-3H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by HPLC assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071770
PNG
(2-[4-(2-carboxy-4-methylphenylcarbamoyl)butylcarbo...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6/c1-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 9.20E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071774
PNG
(2-({5-[(2-carboxy-4-chlorophenyl)amino]-5-oxopenta...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C19H16Cl2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
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n/an/a 9.60E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071762
PNG
(5-bromo-2-({5-[(4-bromo-2-carboxyphenyl)amino]-5-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C19H16Br2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))		BDBM50218757
PNG
(CHEMBL61867)
Show SMILES CCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C22H15N3O2/c1-2-25-14-10-6-4-8-12(14)16-18-17(21(26)24-22(18)27)15-11-7-3-5-9-13(11)23-19(15)20(16)25/h3-10,23H,2H2,1H3,(H,24,26,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 11: 1993-5 (2001)


BindingDB Entry DOI: 10.7270/Q2B85B9J
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.06E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071778
PNG
(2-[4-(2-carboxy-4-trifluoromethylphenylcarbamoyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O6/c23-21(24,25)11-5-7-15(13(9-11)19(33)34)29-17(31)3-1-2-4-18(32)30-16-8-6-12(22(26,27)28)10-14(16)20(35)36/h5-10H,1-4H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50081847
PNG
(2-Chloro-3-(3-cyclohexyl-propyl)-[1,4]naphthoquino...)
Show SMILES Oc1c(Cl)c(C=CCC2CCCCC2)c(O)c2ccccc12 |w:6.6|
Show InChI InChI=1S/C19H21ClO2/c20-17-16(12-6-9-13-7-2-1-3-8-13)18(21)14-10-4-5-11-15(14)19(17)22/h4-6,10-13,21-22H,1-3,7-9H2
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n/an/a 1.24E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against HCMV protease by SPA assay

Bioorg Med Chem Lett 9: 2863-6 (1999)


BindingDB Entry DOI: 10.7270/Q298867T
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071780
PNG
(5-bromo-2-[(3-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H14Br2N2O6/c23-13-4-6-17(15(9-13)21(29)30)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(24)10-16(18)22(31)32/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071770
PNG
(2-[4-(2-carboxy-4-methylphenylcarbamoyl)butylcarbo...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6/c1-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071764
PNG
(5-Bromo-2-[5-(4-bromo-phenylcarbamoyl)-pentanoylam...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2O4/c20-12-5-8-14(9-6-12)22-17(24)3-1-2-4-18(25)23-16-10-7-13(21)11-15(16)19(26)27/h5-11H,1-4H2,(H,22,24)(H,23,25)(H,26,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071760
PNG
(5-bromo-2-{[(3-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)Cc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C23H16Br2N2O6/c24-14-4-6-18(16(10-14)22(30)31)26-20(28)9-12-2-1-3-13(8-12)21(29)27-19-7-5-15(25)11-17(19)23(32)33/h1-8,10-11H,9H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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n/an/a 1.50E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Protein Rev


(Human immunodeficiency virus 1)		BDBM50503727
PNG
(CHEMBL4560686)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)O[C@H](CNCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1N |r|
Show InChI InChI=1S/C27H48N4O7/c1-26(2,3)13-7-12(8-14(19(13)32)27(4,5)6)10-31-11-17-21(34)22(35)18(30)25(37-17)38-24-16(29)9-15(28)20(33)23(24)36/h7-8,15-18,20-25,31-36H,9-11,28-30H2,1-6H3/t15-,16+,17-,18-,20+,21-,22-,23-,24-,25-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...

Bioorg Med Chem Lett 29: 339-341 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.004
BindingDB Entry DOI: 10.7270/Q2Z60S9X
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071761
PNG
(5-bromo-2-[6-(4-bromo-2-carboxyphenylcarbamoyl)hex...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H22Br2N2O6/c23-13-7-9-17(15(11-13)21(29)30)25-19(27)5-3-1-2-4-6-20(28)26-18-10-8-14(24)12-16(18)22(31)32/h7-12H,1-6H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.80E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-1 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071780
PNG
(5-bromo-2-[(3-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H14Br2N2O6/c23-13-4-6-17(15(9-13)21(29)30)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(24)10-16(18)22(31)32/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50071779
PNG
(2-[4-(2-carboxy-4-methylsulfanylphenylcarbamoyl)bu...)
Show SMILES CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6S2/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase

Bioorg Med Chem Lett 8: 2623-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RF5T6F
More data for this
Ligand-Target Pair
Protein Rev


(Human immunodeficiency virus 1)		BDBM50503726
PNG
(CHEMBL4483318)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)O[C@H](CNCc2ccc(O)c(OC)c2)[C@@H](O)[C@H](O)[C@H]1N |r|
Show InChI InChI=1S/C20H34N4O8/c1-30-12-4-8(2-3-11(12)25)6-24-7-13-16(27)17(28)14(23)20(31-13)32-19-10(22)5-9(21)15(26)18(19)29/h2-4,9-10,13-20,24-29H,5-7,21-23H2,1H3/t9-,10+,13-,14-,15+,16-,17-,18-,19-,20-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...

Bioorg Med Chem Lett 29: 339-341 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.004
BindingDB Entry DOI: 10.7270/Q2Z60S9X
More data for this
Ligand-Target Pair
Protein Rev


(Human immunodeficiency virus 1)		BDBM50503720
PNG
(CHEMBL4583631)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)O[C@H](CNCC)[C@@H](O)[C@H](O)[C@H]1N |r|
Show InChI InChI=1S/C14H30N4O6/c1-2-18-4-7-10(20)11(21)8(17)14(23-7)24-13-6(16)3-5(15)9(19)12(13)22/h5-14,18-22H,2-4,15-17H2,1H3/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1
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The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximit...

Bioorg Med Chem Lett 29: 339-341 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.004
BindingDB Entry DOI: 10.7270/Q2Z60S9X
More data for this
Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50120982
PNG
((S)-4-Acetylamino-4-[2-carboxy-1-((S)-1-{(S)-1-[(S...)
Show SMILES CCC1[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C30H48N6O12S/c1-8-17-25-20(36(29(17)45)49(7,47)48)11-12-35(25)30(46)24(15(4)5)34-28(44)23(14(2)3)33-27(43)19(13-22(40)41)32-26(42)18(31-16(6)37)9-10-21(38)39/h14-15,17-20,23-25H,8-13H2,1-7H3,(H,31,37)(H,32,42)(H,33,43)(H,34,44)(H,38,39)(H,40,41)/t17?,18-,19-,20-,23-,24-,25+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS3/4A protease on 18 hr preincubation in chromogenic assay

Bioorg Med Chem Lett 12: 3359-62 (2002)


BindingDB Entry DOI: 10.7270/Q2S181W6
More data for this
Ligand-Target Pair
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