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PubMed code 7506311

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029987
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H](O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029982
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase mutant (Tyr-181 to Cys)

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029982
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase mutant (Tyr-181 to Cys)

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029982
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14-,21+/m1/s1
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n/an/a 410n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase mutant (Tyr-181 to Leu)

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50279762
PNG
((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...)
Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |wD:1.0,(11.88,-16.19,;11.86,-14.64,;13.24,-13.98,;13.57,-12.47,;12.6,-11.27,;11.07,-11.28,;10.11,-12.49,;10.46,-13.99,;9.27,-14.97,;7.83,-14.43,;6.62,-15.39,;5.19,-14.85,;6.87,-16.91,;10.3,-9.95,;11.06,-8.61,;10.27,-7.28,;12.6,-8.61,;13.37,-9.95,;14.87,-10.27,;15.02,-11.79,;16.37,-12.56,)|
Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029996
PNG
(Acetic acid 2,3,10,10-tetramethyl-6-oxo-8-phenyl-3...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](OC(C)=O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C27H26O6/c1-14-15(2)30-24-18-11-12-27(4,5)33-25(18)21-19(17-9-7-6-8-10-17)13-20(29)32-26(21)22(24)23(14)31-16(3)28/h6-15,23H,1-5H3/t14-,15-,23+/m1/s1
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n/an/a 720n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029985
PNG
(6,6,10,11-Tetramethyl-4-phenyl-6H,10H-dipyrano[2,3...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2C=C1C)-c1ccccc1 |c:5,23|
Show InChI InChI=1S/C25H22O4/c1-14-12-19-22(27-15(14)2)17-10-11-25(3,4)29-24(17)21-18(13-20(26)28-23(19)21)16-8-6-5-7-9-16/h5-13,15H,1-4H3/t15-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029988
PNG
(6,6,10,11-Tetramethyl-4-phenyl-10,11-dihydro-6H-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2C(=O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H22O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14H,1-4H3/t13-,14-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029992
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H](O)[C@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14+,21+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029981
PNG
(12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14+,21-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029986
PNG
(12-(4-Bromo-benzoyl)-6,6,10,11-tetramethyl-4-pheny...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H]([C@H]1C)C(=O)c1ccc(Br)cc1)-c1ccccc1 |c:5|
Show InChI InChI=1S/C32H27BrO5/c1-17-18(2)36-29-22-14-15-32(3,4)38-30(22)26-23(19-8-6-5-7-9-19)16-24(34)37-31(26)27(29)25(17)28(35)20-10-12-21(33)13-11-20/h5-18,25H,1-4H3/t17-,18+,25-/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029994
PNG
(4-hydroxy-2,3,10,10-tetramethyl-8-phenyl-(2R,3S,4S...)
Show SMILES C[C@H]1Oc2c3[C@@H]4[C@H](Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1)C4(C)C
Show InChI InChI=1S/C25H24O5/c1-11-12(2)28-23-17-19-24(25(19,3)4)30-21(17)16-14(13-8-6-5-7-9-13)10-15(26)29-22(16)18(23)20(11)27/h5-12,19-20,24,27H,1-4H3/t11-,12+,19+,20-,24-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029993
PNG
(3-(5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c(C(=CC(O)=O)c3ccccc3)c(O)c2C(=O)[C@@H]1C |w:14.15,c:5|
Show InChI InChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/t13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029984
PNG
(4-hydroxy-2,3,10,10-tetramethyl-8-phenyl-(2R,3S,4S...)
Show SMILES C[C@H]1Oc2c3[C@H]4[C@@H](Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1)C4(C)C
Show InChI InChI=1S/C25H24O5/c1-11-12(2)28-23-17-19-24(25(19,3)4)30-21(17)16-14(13-8-6-5-7-9-13)10-15(26)29-22(16)18(23)20(11)27/h5-12,19-20,24,27H,1-4H3/t11-,12+,19-,20-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029991
PNG
(Acetic acid 2,3,10,10-tetramethyl-6-oxo-8-phenyl-3...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@H](OC(C)=O)[C@@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C27H26O6/c1-14-15(2)30-24-18-11-12-27(4,5)33-25(18)21-19(17-9-7-6-8-10-17)13-20(29)32-26(21)22(24)23(14)31-16(3)28/h6-15,23H,1-5H3/t14-,15-,23-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029995
PNG
(6,6,10,11-Tetramethyl-4-phenyl-10,11-dihydro-6H-di...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2C(=O)[C@H]1C)-c1ccccc1 |c:5|
Show InChI InChI=1S/C25H22O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14H,1-4H3/t13-,14+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029983
PNG
(3-[7-Hydroxy-5-methoxy-2,2-dimethyl-6-(2-methyl-bu...)
Show SMILES COc1c2C=CC(C)(C)Oc2c(C(=CC(O)=O)c2ccccc2)c(O)c1C(=O)C(C)=CC |w:13.14,30.33,c:4|
Show InChI InChI=1S/C26H26O6/c1-6-15(2)22(29)21-23(30)20(18(14-19(27)28)16-10-8-7-9-11-16)25-17(24(21)31-5)12-13-26(3,4)32-25/h6-14,30H,1-5H3,(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50029990
PNG
(3-(5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro...)
Show SMILES C[C@H]1Oc2c3C=CC(C)(C)Oc3c(C(=CC(O)=O)c3ccccc3)c(O)c2C(=O)[C@H]1C |w:14.15,c:5|
Show InChI InChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/t13-,14+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals R& D

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay

J Med Chem 36: 4131-8 (1994)


BindingDB Entry DOI: 10.7270/Q269746K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%