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PubMed code 8809165

Compile data set for download or QSAR
Found 120 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
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1954
PNG
((Alkylamino)piperidine BHAP Analog 10 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1CC1
Show InChI InChI=1S/C24H30N6O3S/c1-29(23-21(4-3-11-25-23)26-17-5-6-17)19-9-12-30(13-10-19)24(31)22-15-16-14-18(28-34(2,32)33)7-8-20(16)27-22/h3-4,7-8,11,14-15,17,19,26-28H,5-6,9-10,12-13H2,1-2H3
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n/an/a 90n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 110n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1966
PNG
((Alkylamino)piperidine BHAP Analog 22 | 1-[(5-Meth...)
Show SMILES CCCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-12-26-22-7-6-13-27-24(22)31(5-2)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,13,16-17,20,26,28-29H,4-5,10-12,14-15H2,1-3H3
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n/an/a 130n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1969
PNG
((Alkylamino)piperidine BHAP Analog 25 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C30H42N8O2/c1-5-38(28-26(32-21(2)3)7-6-12-31-28)24-10-13-36(14-11-24)29(39)27-20-22-19-23(8-9-25(22)34-27)33-30(40)37-17-15-35(4)16-18-37/h6-9,12,19-21,24,32,34H,5,10-11,13-18H2,1-4H3,(H,33,40)
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n/an/a 140n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1967
PNG
((Alkylamino)piperidine BHAP Analog 23 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C29H40N8O2/c1-4-30-25-7-6-12-31-27(25)37(5-2)23-10-13-35(14-11-23)28(38)26-20-21-19-22(8-9-24(21)33-26)32-29(39)36-17-15-34(3)16-18-36/h6-9,12,19-20,23,30,33H,4-5,10-11,13-18H2,1-3H3,(H,32,39)
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n/an/a 140n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1964
PNG
((Alkylamino)piperidine BHAP Analog 20 | N-{2-[(4-{...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC
Show InChI InChI=1S/C25H34N6O3S/c1-4-13-31(24-22(26-5-2)7-6-12-27-24)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,12,16-17,20,26,28-29H,4-5,10-11,13-15H2,1-3H3
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n/an/a 150n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1955
PNG
((Alkylamino)piperidine BHAP Analog 11 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1(C)CC1
Show InChI InChI=1S/C25H32N6O3S/c1-25(10-11-25)28-21-5-4-12-26-23(21)30(2)19-8-13-31(14-9-19)24(32)22-16-17-15-18(29-35(3,33)34)6-7-20(17)27-22/h4-7,12,15-16,19,27-29H,8-11,13-14H2,1-3H3
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n/an/a 160n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1950
PNG
((Alkylamino)piperidine BHAP Analog 6 | {2-[(4-{met...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1
Show InChI InChI=1S/C24H31N5O2/c1-16(2)26-20-5-4-10-25-23(20)28(3)19-8-11-29(12-9-19)24(31)22-14-18-7-6-17(15-30)13-21(18)27-22/h4-7,10,13-14,16,19,26-27,30H,8-9,11-12,15H2,1-3H3
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n/an/a 170n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1969
PNG
((Alkylamino)piperidine BHAP Analog 25 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C30H42N8O2/c1-5-38(28-26(32-21(2)3)7-6-12-31-28)24-10-13-36(14-11-24)29(39)27-20-22-19-23(8-9-25(22)34-27)33-30(40)37-17-15-35(4)16-18-37/h6-9,12,19-21,24,32,34H,5,10-11,13-18H2,1-4H3,(H,33,40)
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1948
PNG
((Alkylamino)piperidine BHAP analog 4 | 3-methyl-1-...)
Show SMILES CNC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)N(C)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H33N7O2/c1-16(2)28-21-6-5-11-27-23(21)31(4)19-9-12-32(13-10-19)24(33)22-15-17-14-18(29-25(34)26-3)7-8-20(17)30-22/h5-8,11,14-16,19,28,30H,9-10,12-13H2,1-4H3,(H2,26,29,34)
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n/an/a 180n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2661
PNG
((Alkylamino)piperidine BHAP Analog 29 | 4-methyl-N...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C31H44N8O2/c1-5-13-39(29-27(33-22(2)3)7-6-12-32-29)25-10-14-37(15-11-25)30(40)28-21-23-20-24(8-9-26(23)35-28)34-31(41)38-18-16-36(4)17-19-38/h6-9,12,20-22,25,33,35H,5,10-11,13-19H2,1-4H3,(H,34,41)
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1954
PNG
((Alkylamino)piperidine BHAP Analog 10 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1CC1
Show InChI InChI=1S/C24H30N6O3S/c1-29(23-21(4-3-11-25-23)26-17-5-6-17)19-9-12-30(13-10-19)24(31)22-15-16-14-18(28-34(2,32)33)7-8-20(16)27-22/h3-4,7-8,11,14-15,17,19,26-28H,5-6,9-10,12-13H2,1-2H3
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2668
PNG
((Alkylamino)piperidine BHAP Analog 36 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C31H43FN8O2/c1-6-40(28-25(36-31(2,3)4)9-10-27(32)35-28)23-11-13-38(14-12-23)29(41)26-20-21-19-22(7-8-24(21)34-26)33-30(42)39-17-15-37(5)16-18-39/h7-10,19-20,23,34,36H,6,11-18H2,1-5H3,(H,33,42)
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2659
PNG
((Alkylamino)piperidine BHAP Analog 27 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C31H44N8O2/c1-6-39(28-26(8-7-13-32-28)35-31(2,3)4)24-11-14-37(15-12-24)29(40)27-21-22-20-23(9-10-25(22)34-27)33-30(41)38-18-16-36(5)17-19-38/h7-10,13,20-21,24,34-35H,6,11-12,14-19H2,1-5H3,(H,33,41)
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Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1958
PNG
((Alkylamino)piperidine BHAP Analog 14 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H34N6O3S/c1-17(2)28-23-5-4-12-27-25(23)32(20-7-8-20)21-10-13-31(14-11-21)26(33)24-16-18-15-19(30-36(3,34)35)6-9-22(18)29-24/h4-6,9,12,15-17,20-21,28-30H,7-8,10-11,13-14H2,1-3H3
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n/an/a 230n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1945
PNG
((Alkylamino)piperidine BHAP Analog 1 | 2-N-[1-(1H-...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H29N5O/c1-16(2)25-20-9-6-12-24-22(20)27(3)18-10-13-28(14-11-18)23(29)21-15-17-7-4-5-8-19(17)26-21/h4-9,12,15-16,18,25-26H,10-11,13-14H2,1-3H3
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n/an/a 230n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1957
PNG
((Alkylamino)piperidine BHAP Analog 13 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-5-13-32(25-23(28-18(2)3)7-6-12-27-25)21-10-14-31(15-11-21)26(33)24-17-19-16-20(30-36(4,34)35)8-9-22(19)29-24/h6-9,12,16-18,21,28-30H,5,10-11,13-15H2,1-4H3
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n/an/a 240n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1968
PNG
((Alkylamino)piperidine BHAP Analog 24 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H40N8O3S/c1-4-29-25-7-6-12-30-27(25)36(5-2)23-10-13-34(14-11-23)28(37)26-20-21-19-22(8-9-24(21)31-26)32-40(38,39)35-17-15-33(3)16-18-35/h6-9,12,19-20,23,29,31-32H,4-5,10-11,13-18H2,1-3H3
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n/an/a 240n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1967
PNG
((Alkylamino)piperidine BHAP Analog 23 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C29H40N8O2/c1-4-30-25-7-6-12-31-27(25)37(5-2)23-10-13-35(14-11-23)28(38)26-20-21-19-22(8-9-24(21)33-26)32-29(39)36-17-15-34(3)16-18-36/h6-9,12,19-20,23,30,33H,4-5,10-11,13-18H2,1-3H3,(H,32,39)
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n/an/a 240n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1957
PNG
((Alkylamino)piperidine BHAP Analog 13 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-5-13-32(25-23(28-18(2)3)7-6-12-27-25)21-10-14-31(15-11-21)26(33)24-17-19-16-20(30-36(4,34)35)8-9-22(19)29-24/h6-9,12,16-18,21,28-30H,5,10-11,13-15H2,1-4H3
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n/an/a 240n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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n/an/a 250n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 260n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1962
PNG
((Alkylamino)piperidine BHAP Analog 18 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)CC)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-26-22-8-7-13-27-24(22)31(5-2)20-11-14-30(15-12-20)25(32)23-17-18-16-19(9-10-21(18)28-23)29-35(33,34)6-3/h7-10,13,16-17,20,26,28-29H,4-6,11-12,14-15H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1954
PNG
((Alkylamino)piperidine BHAP Analog 10 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1CC1
Show InChI InChI=1S/C24H30N6O3S/c1-29(23-21(4-3-11-25-23)26-17-5-6-17)19-9-12-30(13-10-19)24(31)22-15-16-14-18(28-34(2,32)33)7-8-20(16)27-22/h3-4,7-8,11,14-15,17,19,26-28H,5-6,9-10,12-13H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1966
PNG
((Alkylamino)piperidine BHAP Analog 22 | 1-[(5-Meth...)
Show SMILES CCCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-12-26-22-7-6-13-27-24(22)31(5-2)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,13,16-17,20,26,28-29H,4-5,10-12,14-15H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1946
PNG
((Alkylamino)piperidine BHAP analog 2 | 2-{2-[2-({2...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(OCCOCCOCCO)cc2[nH]1
Show InChI InChI=1S/C29H41N5O5/c1-21(2)31-25-5-4-10-30-28(25)33(3)23-8-11-34(12-9-23)29(36)27-19-22-6-7-24(20-26(22)32-27)39-18-17-38-16-15-37-14-13-35/h4-7,10,19-21,23,31-32,35H,8-9,11-18H2,1-3H3
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n/an/a 300n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1959
PNG
(1-[(5-Methanesulfonamidoindol-2-yl)carbonyl]-4-[N-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-6-32(24-22(8-7-13-27-24)29-26(2,3)4)20-11-14-31(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 320n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 320n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1963
PNG
((Alkylamino)piperidine BHAP Analog 19 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(C)C)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-5-27-23-8-7-13-28-25(23)32(6-2)21-11-14-31(15-12-21)26(33)24-17-19-16-20(9-10-22(19)29-24)30-36(34,35)18(3)4/h7-10,13,16-18,21,27,29-30H,5-6,11-12,14-15H2,1-4H3
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n/an/a 330n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1952
PNG
((Alkylamino)piperidine BHAP Analog 8 | 1-[[5-[(Met...)
Show SMILES CCC(C)(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-6-26(2,3)29-22-8-7-13-27-24(22)31(4)20-11-14-32(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 350n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2663
PNG
((Alkylamino)piperidine BHAP Analog 31 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccc(Cl)nc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H31ClN6O3S/c1-15(2)26-20-7-8-22(25)28-23(20)30(3)18-9-11-31(12-10-18)24(32)21-14-16-13-17(29-35(4,33)34)5-6-19(16)27-21/h5-8,13-15,18,26-27,29H,9-12H2,1-4H3
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n/an/a 360n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1950
PNG
((Alkylamino)piperidine BHAP Analog 6 | {2-[(4-{met...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1
Show InChI InChI=1S/C24H31N5O2/c1-16(2)26-20-5-4-10-25-23(20)28(3)19-8-11-29(12-9-19)24(31)22-14-18-7-6-17(15-30)13-21(18)27-22/h4-7,10,13-14,16,19,26-27,30H,8-9,11-12,15H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2659
PNG
((Alkylamino)piperidine BHAP Analog 27 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C31H44N8O2/c1-6-39(28-26(8-7-13-32-28)35-31(2,3)4)24-11-14-37(15-12-24)29(40)27-21-22-20-23(9-10-25(22)34-27)33-30(41)38-18-16-36(5)17-19-38/h7-10,13,20-21,24,34-35H,6,11-12,14-19H2,1-5H3,(H,33,41)
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n/an/a 370n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1955
PNG
((Alkylamino)piperidine BHAP Analog 11 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1(C)CC1
Show InChI InChI=1S/C25H32N6O3S/c1-25(10-11-25)28-21-5-4-12-26-23(21)30(2)19-8-13-31(14-9-19)24(32)22-16-17-15-18(29-35(3,33)34)6-7-20(17)27-22/h4-7,12,15-16,19,27-29H,8-11,13-14H2,1-3H3
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n/an/a 370n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1965
PNG
((Alkylamino)piperidine BHAP Analog 21 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(C(C)C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-5-26-22-7-6-12-27-24(22)31(17(2)3)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,26,28-29H,5,10-11,13-14H2,1-4H3
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n/an/a 380n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1970
PNG
((Alkylamino)piperidine BHAP Analog 26 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C29H42N8O3S/c1-5-37(28-26(31-21(2)3)7-6-12-30-28)24-10-13-35(14-11-24)29(38)27-20-22-19-23(8-9-25(22)32-27)33-41(39,40)36-17-15-34(4)16-18-36/h6-9,12,19-21,24,31-33H,5,10-11,13-18H2,1-4H3
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n/an/a 380n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1951
PNG
((Alkylamino)piperidine BHAP Analog 7 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-25(2,3)28-21-7-6-12-26-23(21)30(4)19-10-13-31(14-11-19)24(32)22-16-17-15-18(29-35(5,33)34)8-9-20(17)27-22/h6-9,12,15-16,19,27-29H,10-11,13-14H2,1-5H3
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n/an/a 390n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1956
PNG
((Alkylamino)piperidine BHAP Analog 12 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-5-31(24-22(27-17(2)3)7-6-12-26-24)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,27-29H,5,10-11,13-14H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2661
PNG
((Alkylamino)piperidine BHAP Analog 29 | 4-methyl-N...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C31H44N8O2/c1-5-13-39(29-27(33-22(2)3)7-6-12-32-29)25-10-14-37(15-11-25)30(40)28-21-23-20-24(8-9-26(23)35-28)34-31(41)38-18-16-36(4)17-19-38/h6-9,12,20-22,25,33,35H,5,10-11,13-19H2,1-4H3,(H,34,41)
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n/an/a 400n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1962
PNG
((Alkylamino)piperidine BHAP Analog 18 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)CC)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-26-22-8-7-13-27-24(22)31(5-2)20-11-14-30(15-12-20)25(32)23-17-18-16-19(9-10-21(18)28-23)29-35(33,34)6-3/h7-10,13,16-17,20,26,28-29H,4-6,11-12,14-15H2,1-3H3
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n/an/a 400n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1969
PNG
((Alkylamino)piperidine BHAP Analog 25 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C30H42N8O2/c1-5-38(28-26(32-21(2)3)7-6-12-31-28)24-10-13-36(14-11-24)29(39)27-20-22-19-23(8-9-25(22)34-27)33-30(40)37-17-15-35(4)16-18-37/h6-9,12,19-21,24,32,34H,5,10-11,13-18H2,1-4H3,(H,33,40)
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n/an/a 410n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1946
PNG
((Alkylamino)piperidine BHAP analog 2 | 2-{2-[2-({2...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(OCCOCCOCCO)cc2[nH]1
Show InChI InChI=1S/C29H41N5O5/c1-21(2)31-25-5-4-10-30-28(25)33(3)23-8-11-34(12-9-23)29(36)27-19-22-6-7-24(20-26(22)32-27)39-18-17-38-16-15-37-14-13-35/h4-7,10,19-21,23,31-32,35H,8-9,11-18H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1968
PNG
((Alkylamino)piperidine BHAP Analog 24 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H40N8O3S/c1-4-29-25-7-6-12-30-27(25)36(5-2)23-10-13-34(14-11-23)28(37)26-20-21-19-22(8-9-24(21)31-26)32-40(38,39)35-17-15-33(3)16-18-35/h6-9,12,19-20,23,29,31-32H,4-5,10-11,13-18H2,1-3H3
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n/an/a 440n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1966
PNG
((Alkylamino)piperidine BHAP Analog 22 | 1-[(5-Meth...)
Show SMILES CCCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-12-26-22-7-6-13-27-24(22)31(5-2)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,13,16-17,20,26,28-29H,4-5,10-12,14-15H2,1-3H3
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n/an/a 450n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1963
PNG
((Alkylamino)piperidine BHAP Analog 19 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(C)C)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-5-27-23-8-7-13-28-25(23)32(6-2)21-11-14-31(15-12-21)26(33)24-17-19-16-20(9-10-22(19)29-24)30-36(34,35)18(3)4/h7-10,13,16-18,21,27,29-30H,5-6,11-12,14-15H2,1-4H3
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n/an/a 450n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1959
PNG
(1-[(5-Methanesulfonamidoindol-2-yl)carbonyl]-4-[N-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-6-32(24-22(8-7-13-27-24)29-26(2,3)4)20-11-14-31(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 460n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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n/an/a 460n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2665
PNG
((Alkylamino)piperidine BHAP Analog 33 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-5-32(24-21(27-16(2)3)8-9-23(26)29-24)19-10-12-31(13-11-19)25(33)22-15-17-14-18(30-36(4,34)35)6-7-20(17)28-22/h6-9,14-16,19,27-28,30H,5,10-13H2,1-4H3
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n/an/a 460n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1960
PNG
((Alkylamino)piperidine BHAP Analog 16 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C27H38N6O3S/c1-6-14-33(25-23(8-7-13-28-25)30-27(2,3)4)21-11-15-32(16-12-21)26(34)24-18-19-17-20(31-37(5,35)36)9-10-22(19)29-24/h7-10,13,17-18,21,29-31H,6,11-12,14-16H2,1-5H3
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n/an/a 480n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1962
PNG
((Alkylamino)piperidine BHAP Analog 18 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)CC)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-4-26-22-8-7-13-27-24(22)31(5-2)20-11-14-30(15-12-20)25(32)23-17-18-16-19(9-10-21(18)28-23)29-35(33,34)6-3/h7-10,13,16-17,20,26,28-29H,4-6,11-12,14-15H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1950
PNG
((Alkylamino)piperidine BHAP Analog 6 | {2-[(4-{met...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1
Show InChI InChI=1S/C24H31N5O2/c1-16(2)26-20-5-4-10-25-23(20)28(3)19-8-11-29(12-9-19)24(31)22-14-18-7-6-17(15-30)13-21(18)27-22/h4-7,10,13-14,16,19,26-27,30H,8-9,11-12,15H2,1-3H3
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n/an/a 490n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 500n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1951
PNG
((Alkylamino)piperidine BHAP Analog 7 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-25(2,3)28-21-7-6-12-26-23(21)30(4)19-10-13-31(14-11-19)24(32)22-16-17-15-18(29-35(5,33)34)8-9-20(17)27-22/h6-9,12,15-16,19,27-29H,10-11,13-14H2,1-5H3
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n/an/a 510n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1953
PNG
((Alkylamino)piperidine BHAP Analog 9 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC1CC1
Show InChI InChI=1S/C25H32N6O3S/c1-30(24-22(4-3-11-26-24)27-16-17-5-6-17)20-9-12-31(13-10-20)25(32)23-15-18-14-19(29-35(2,33)34)7-8-21(18)28-23/h3-4,7-8,11,14-15,17,20,27-29H,5-6,9-10,12-13,16H2,1-2H3
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n/an/a 520n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1964
PNG
((Alkylamino)piperidine BHAP Analog 20 | N-{2-[(4-{...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC
Show InChI InChI=1S/C25H34N6O3S/c1-4-13-31(24-22(26-5-2)7-6-12-27-24)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,12,16-17,20,26,28-29H,4-5,10-11,13-15H2,1-3H3
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n/an/a 520n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2664
PNG
((Alkylamino)piperidine BHAP Analog 32 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-25(2,3)29-20-8-9-22(26)28-23(20)31(4)18-10-12-32(13-11-18)24(33)21-15-16-14-17(30-36(5,34)35)6-7-19(16)27-21/h6-9,14-15,18,27,29-30H,10-13H2,1-5H3
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n/an/a 530n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1952
PNG
((Alkylamino)piperidine BHAP Analog 8 | 1-[[5-[(Met...)
Show SMILES CCC(C)(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-6-26(2,3)29-22-8-7-13-27-24(22)31(4)20-11-14-32(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 530n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2665
PNG
((Alkylamino)piperidine BHAP Analog 33 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-5-32(24-21(27-16(2)3)8-9-23(26)29-24)19-10-12-31(13-11-19)25(33)22-15-17-14-18(30-36(4,34)35)6-7-20(17)28-22/h6-9,14-16,19,27-28,30H,5,10-13H2,1-4H3
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n/an/a 540n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1970
PNG
((Alkylamino)piperidine BHAP Analog 26 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C29H42N8O3S/c1-5-37(28-26(31-21(2)3)7-6-12-30-28)24-10-13-35(14-11-24)29(38)27-20-22-19-23(8-9-25(22)32-27)33-41(39,40)36-17-15-34(4)16-18-36/h6-9,12,19-21,24,31-33H,5,10-11,13-18H2,1-4H3
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n/an/a 570n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1949
PNG
((Alkylamino)piperidine BHAP Analog 5 | 2-N-cyclopr...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H31N5O/c1-17(2)27-22-8-5-13-26-24(22)30(19-9-10-19)20-11-14-29(15-12-20)25(31)23-16-18-6-3-4-7-21(18)28-23/h3-8,13,16-17,19-20,27-28H,9-12,14-15H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2659
PNG
((Alkylamino)piperidine BHAP Analog 27 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C31H44N8O2/c1-6-39(28-26(8-7-13-32-28)35-31(2,3)4)24-11-14-37(15-12-24)29(40)27-21-22-20-23(9-10-25(22)34-27)33-30(41)38-18-16-36(5)17-19-38/h7-10,13,20-21,24,34-35H,6,11-12,14-19H2,1-5H3,(H,33,41)
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n/an/a 610n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1957
PNG
((Alkylamino)piperidine BHAP Analog 13 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-5-13-32(25-23(28-18(2)3)7-6-12-27-25)21-10-14-31(15-11-21)26(33)24-17-19-16-20(30-36(4,34)35)8-9-22(19)29-24/h6-9,12,16-18,21,28-30H,5,10-11,13-15H2,1-4H3
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n/an/a 610n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1963
PNG
((Alkylamino)piperidine BHAP Analog 19 | N-{2-[(4-{...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(C)C)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-5-27-23-8-7-13-28-25(23)32(6-2)21-11-14-31(15-12-21)26(33)24-17-19-16-20(9-10-22(19)29-24)30-36(34,35)18(3)4/h7-10,13,16-18,21,27,29-30H,5-6,11-12,14-15H2,1-4H3
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n/an/a 660n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1959
PNG
(1-[(5-Methanesulfonamidoindol-2-yl)carbonyl]-4-[N-...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C26H36N6O3S/c1-6-32(24-22(8-7-13-27-24)29-26(2,3)4)20-11-14-31(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 660n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1949
PNG
((Alkylamino)piperidine BHAP Analog 5 | 2-N-cyclopr...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H31N5O/c1-17(2)27-22-8-5-13-26-24(22)30(19-9-10-19)20-11-14-29(15-12-20)25(31)23-16-18-6-3-4-7-21(18)28-23/h3-8,13,16-17,19-20,27-28H,9-12,14-15H2,1-2H3
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n/an/a 700n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1958
PNG
((Alkylamino)piperidine BHAP Analog 14 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H34N6O3S/c1-17(2)28-23-5-4-12-27-25(23)32(20-7-8-20)21-10-13-31(14-11-21)26(33)24-16-18-15-19(30-36(3,34)35)6-9-22(18)29-24/h4-6,9,12,15-17,20-21,28-30H,7-8,10-11,13-14H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2664
PNG
((Alkylamino)piperidine BHAP Analog 32 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-25(2,3)29-20-8-9-22(26)28-23(20)31(4)18-10-12-32(13-11-18)24(33)21-15-16-14-17(30-36(5,34)35)6-7-19(16)27-21/h6-9,14-15,18,27,29-30H,10-13H2,1-5H3
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n/an/a 720n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2667
PNG
((Alkylamino)piperidine BHAP Analog 35 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35FN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 730n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1945
PNG
((Alkylamino)piperidine BHAP Analog 1 | 2-N-[1-(1H-...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H29N5O/c1-16(2)25-20-9-6-12-24-22(20)27(3)18-10-13-28(14-11-18)23(29)21-15-17-7-4-5-8-19(17)26-21/h4-9,12,15-16,18,25-26H,10-11,13-14H2,1-3H3
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n/an/a 740n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2662
PNG
((Alkylamino)piperidine BHAP Analog 30 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccnnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H31N7O3S/c1-15(2)25-20-7-10-24-27-22(20)29(3)18-8-11-30(12-9-18)23(31)21-14-16-13-17(28-34(4,32)33)5-6-19(16)26-21/h5-7,10,13-15,18,26,28H,8-9,11-12H2,1-4H3,(H,24,25)
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n/an/a 740n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1946
PNG
((Alkylamino)piperidine BHAP analog 2 | 2-{2-[2-({2...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(OCCOCCOCCO)cc2[nH]1
Show InChI InChI=1S/C29H41N5O5/c1-21(2)31-25-5-4-10-30-28(25)33(3)23-8-11-34(12-9-23)29(36)27-19-22-6-7-24(20-26(22)32-27)39-18-17-38-16-15-37-14-13-35/h4-7,10,19-21,23,31-32,35H,8-9,11-18H2,1-3H3
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n/an/a 770n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1970
PNG
((Alkylamino)piperidine BHAP Analog 26 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C29H42N8O3S/c1-5-37(28-26(31-21(2)3)7-6-12-30-28)24-10-13-35(14-11-24)29(38)27-20-22-19-23(8-9-25(22)32-27)33-41(39,40)36-17-15-34(4)16-18-36/h6-9,12,19-21,24,31-33H,5,10-11,13-18H2,1-4H3
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n/an/a 770n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2668
PNG
((Alkylamino)piperidine BHAP Analog 36 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C31H43FN8O2/c1-6-40(28-25(36-31(2,3)4)9-10-27(32)35-28)23-11-13-38(14-12-23)29(41)26-20-21-19-22(7-8-24(21)34-26)33-30(42)39-17-15-37(5)16-18-39/h7-10,19-20,23,34,36H,6,11-18H2,1-5H3,(H,33,42)
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n/an/a 790n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2660
PNG
((Alkylamino)piperidine BHAP Analog 28 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C30H44N8O3S/c1-6-38(28-26(8-7-13-31-28)33-30(2,3)4)24-11-14-36(15-12-24)29(39)27-21-22-20-23(9-10-25(22)32-27)34-42(40,41)37-18-16-35(5)17-19-37/h7-10,13,20-21,24,32-34H,6,11-12,14-19H2,1-5H3
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n/an/a 790n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1945
PNG
((Alkylamino)piperidine BHAP Analog 1 | 2-N-[1-(1H-...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H29N5O/c1-16(2)25-20-9-6-12-24-22(20)27(3)18-10-13-28(14-11-18)23(29)21-15-17-7-4-5-8-19(17)26-21/h4-9,12,15-16,18,25-26H,10-11,13-14H2,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a 800n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2669
PNG
((Alkylamino)piperidine BHAP Analog 37 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C30H43FN8O3S/c1-6-39(28-25(34-30(2,3)4)9-10-27(31)33-28)23-11-13-37(14-12-23)29(40)26-20-21-19-22(7-8-24(21)32-26)35-43(41,42)38-17-15-36(5)16-18-38/h7-10,19-20,23,32,34-35H,6,11-18H2,1-5H3
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n/an/a 830n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2661
PNG
((Alkylamino)piperidine BHAP Analog 29 | 4-methyl-N...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
Show InChI InChI=1S/C31H44N8O2/c1-5-13-39(29-27(33-22(2)3)7-6-12-32-29)25-10-14-37(15-11-25)30(40)28-21-23-20-24(8-9-26(23)35-28)34-31(41)38-18-16-36(4)17-19-38/h6-9,12,20-22,25,33,35H,5,10-11,13-19H2,1-4H3,(H,34,41)
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n/an/a 860n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2665
PNG
((Alkylamino)piperidine BHAP Analog 33 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-5-32(24-21(27-16(2)3)8-9-23(26)29-24)19-10-12-31(13-11-19)25(33)22-15-17-14-18(30-36(4,34)35)6-7-20(17)28-22/h6-9,14-16,19,27-28,30H,5,10-13H2,1-4H3
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n/an/a 880n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1961
PNG
((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3
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n/an/a 880n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1958
PNG
((Alkylamino)piperidine BHAP Analog 14 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H34N6O3S/c1-17(2)28-23-5-4-12-27-25(23)32(20-7-8-20)21-10-13-31(14-11-21)26(33)24-16-18-15-19(30-36(3,34)35)6-9-22(18)29-24/h4-6,9,12,15-17,20-21,28-30H,7-8,10-11,13-14H2,1-3H3
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n/an/a 940n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1964
PNG
((Alkylamino)piperidine BHAP Analog 20 | N-{2-[(4-{...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC
Show InChI InChI=1S/C25H34N6O3S/c1-4-13-31(24-22(26-5-2)7-6-12-27-24)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,12,16-17,20,26,28-29H,4-5,10-11,13-15H2,1-3H3
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n/an/a 950n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM2666
PNG
((Alkylamino)piperidine BHAP Analog 34 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(Cl)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35ClN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2667
PNG
((Alkylamino)piperidine BHAP Analog 35 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35FN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2667
PNG
((Alkylamino)piperidine BHAP Analog 35 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35FN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1968
PNG
((Alkylamino)piperidine BHAP Analog 24 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C28H40N8O3S/c1-4-29-25-7-6-12-30-27(25)36(5-2)23-10-13-34(14-11-23)28(37)26-20-21-19-22(8-9-24(21)31-26)32-40(38,39)35-17-15-33(3)16-18-35/h6-9,12,19-20,23,29,31-32H,4-5,10-11,13-18H2,1-3H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1967
PNG
((Alkylamino)piperidine BHAP Analog 23 | 1-[[5-[[(4...)
Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1
Show InChI InChI=1S/C29H40N8O2/c1-4-30-25-7-6-12-31-27(25)37(5-2)23-10-13-35(14-11-23)28(38)26-20-21-19-22(8-9-24(21)33-26)32-29(39)36-17-15-34(3)16-18-36/h6-9,12,19-20,23,30,33H,4-5,10-11,13-18H2,1-3H3,(H,32,39)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2660
PNG
((Alkylamino)piperidine BHAP Analog 28 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C30H44N8O3S/c1-6-38(28-26(8-7-13-31-28)33-30(2,3)4)24-11-14-36(15-12-24)29(39)27-21-22-20-23(9-10-25(22)32-27)34-42(40,41)37-18-16-35(5)17-19-37/h7-10,13,20-21,24,32-34H,6,11-12,14-19H2,1-5H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2662
PNG
((Alkylamino)piperidine BHAP Analog 30 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccnnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H31N7O3S/c1-15(2)25-20-7-10-24-27-22(20)29(3)18-8-11-30(12-9-18)23(31)21-14-16-13-17(28-34(4,32)33)5-6-19(16)26-21/h5-7,10,13-15,18,26,28H,8-9,11-12H2,1-4H3,(H,24,25)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1955
PNG
((Alkylamino)piperidine BHAP Analog 11 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1(C)CC1
Show InChI InChI=1S/C25H32N6O3S/c1-25(10-11-25)28-21-5-4-12-26-23(21)30(2)19-8-13-31(14-9-19)24(32)22-16-17-15-18(29-35(3,33)34)6-7-20(17)27-22/h4-7,12,15-16,19,27-29H,8-11,13-14H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1960
PNG
((Alkylamino)piperidine BHAP Analog 16 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C27H38N6O3S/c1-6-14-33(25-23(8-7-13-28-25)30-27(2,3)4)21-11-15-32(16-12-21)26(34)24-18-19-17-20(31-37(5,35)36)9-10-22(19)29-24/h7-10,13,17-18,21,29-31H,6,11-12,14-16H2,1-5H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1951
PNG
((Alkylamino)piperidine BHAP Analog 7 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C25H34N6O3S/c1-25(2,3)28-21-7-6-12-26-23(21)30(4)19-10-13-31(14-11-19)24(32)22-16-17-15-18(29-35(5,33)34)8-9-20(17)27-22/h6-9,12,15-16,19,27-29H,10-11,13-14H2,1-5H3
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n/an/a 1.46E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1947
PNG
((Alkylamino)piperidine BHAP Analog 3 | CHEMBL12433...)
Show SMILES CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H32N6O3S/c1-16(2)26-21-6-5-11-25-23(21)29(3)19-9-12-30(13-10-19)24(31)22-15-17-14-18(28-34(4,32)33)7-8-20(17)27-22/h5-8,11,14-16,19,26-28H,9-10,12-13H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2666
PNG
((Alkylamino)piperidine BHAP Analog 34 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(Cl)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35ClN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 1.52E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1948
PNG
((Alkylamino)piperidine BHAP analog 4 | 3-methyl-1-...)
Show SMILES CNC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)N(C)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H33N7O2/c1-16(2)28-21-6-5-11-27-23(21)31(4)19-9-12-32(13-10-19)24(33)22-15-17-14-18(29-25(34)26-3)7-8-20(17)30-22/h5-8,11,14-16,19,28,30H,9-10,12-13H2,1-4H3,(H2,26,29,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2663
PNG
((Alkylamino)piperidine BHAP Analog 31 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccc(Cl)nc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H31ClN6O3S/c1-15(2)26-20-7-8-22(25)28-23(20)30(3)18-9-11-31(12-10-18)24(32)21-14-16-13-17(29-35(4,33)34)5-6-19(16)27-21/h5-8,13-15,18,26-27,29H,9-12H2,1-4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2660
PNG
((Alkylamino)piperidine BHAP Analog 28 | 1-[[5-[[(4...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C30H44N8O3S/c1-6-38(28-26(8-7-13-31-28)33-30(2,3)4)24-11-14-36(15-12-24)29(39)27-21-22-20-23(9-10-25(22)32-27)34-42(40,41)37-18-16-35(5)17-19-37/h7-10,13,20-21,24,32-34H,6,11-12,14-19H2,1-5H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2664
PNG
((Alkylamino)piperidine BHAP Analog 32 | 1-[(5-Meth...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
Show InChI InChI=1S/C25H33FN6O3S/c1-25(2,3)29-20-8-9-22(26)28-23(20)31(4)18-10-12-32(13-11-18)24(33)21-15-16-14-17(30-36(5,34)35)6-7-19(16)27-21/h6-9,14-15,18,27,29-30H,10-13H2,1-5H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2663
PNG
((Alkylamino)piperidine BHAP Analog 31 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccc(Cl)nc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C24H31ClN6O3S/c1-15(2)26-20-7-8-22(25)28-23(20)30(3)18-9-11-31(12-10-18)24(32)21-14-16-13-17(29-35(4,33)34)5-6-19(16)27-21/h5-8,13-15,18,26-27,29H,9-12H2,1-4H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1437
PNG
(5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...)
Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1949
PNG
((Alkylamino)piperidine BHAP Analog 5 | 2-N-cyclopr...)
Show SMILES CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H31N5O/c1-17(2)27-22-8-5-13-26-24(22)30(19-9-10-19)20-11-14-29(15-12-20)25(31)23-16-18-6-3-4-7-21(18)28-23/h3-8,13,16-17,19-20,27-28H,9-12,14-15H2,1-2H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1960
PNG
((Alkylamino)piperidine BHAP Analog 16 | 1-[(5-Meth...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
Show InChI InChI=1S/C27H38N6O3S/c1-6-14-33(25-23(8-7-13-28-25)30-27(2,3)4)21-11-15-32(16-12-21)26(34)24-18-19-17-20(31-37(5,35)36)9-10-22(19)29-24/h7-10,13,17-18,21,29-31H,6,11-12,14-16H2,1-5H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1965
PNG
((Alkylamino)piperidine BHAP Analog 21 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(C(C)C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-5-26-22-7-6-12-27-24(22)31(17(2)3)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,26,28-29H,5,10-11,13-14H2,1-4H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1953
PNG
((Alkylamino)piperidine BHAP Analog 9 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC1CC1
Show InChI InChI=1S/C25H32N6O3S/c1-30(24-22(4-3-11-26-24)27-16-17-5-6-17)20-9-12-31(13-10-20)25(32)23-15-18-14-19(29-35(2,33)34)7-8-21(18)28-23/h3-4,7-8,11,14-15,17,20,27-29H,5-6,9-10,12-13,16H2,1-2H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM2666
PNG
((Alkylamino)piperidine BHAP Analog 34 | 1-[(5-Meth...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(Cl)ccc1NC(C)(C)C
Show InChI InChI=1S/C26H35ClN6O3S/c1-6-33(24-21(30-26(2,3)4)9-10-23(27)29-24)19-11-13-32(14-12-19)25(34)22-16-17-15-18(31-37(5,35)36)7-8-20(17)28-22/h7-10,15-16,19,28,30-31H,6,11-14H2,1-5H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147]


(Human immunodeficiency virus type 1)		BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a 3.10E+3n/an/an/an/a8.328



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1952
PNG
((Alkylamino)piperidine BHAP Analog 8 | 1-[[5-[(Met...)
Show SMILES CCC(C)(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C26H36N6O3S/c1-6-26(2,3)29-22-8-7-13-27-24(22)31(4)20-11-14-32(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1965
PNG
((Alkylamino)piperidine BHAP Analog 21 | 1-[(5-Meth...)
Show SMILES CCNc1cccnc1N(C(C)C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C25H34N6O3S/c1-5-26-22-7-6-12-27-24(22)31(17(2)3)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,26,28-29H,5,10-11,13-14H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM2662
PNG
((Alkylamino)piperidine BHAP Analog 30 | 1-[(5-Meth...)
Show SMILES CC(C)Nc1ccnnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H31N7O3S/c1-15(2)25-20-7-10-24-27-22(20)29(3)18-8-11-30(12-9-18)23(31)21-14-16-13-17(28-34(4,32)33)5-6-19(16)26-21/h5-7,10,13-15,18,26,28H,8-9,11-12H2,1-4H3,(H,24,25)
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n/an/a 4.56E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 8.32E+3n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1953
PNG
((Alkylamino)piperidine BHAP Analog 9 | 1-[(5-Metha...)
Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC1CC1
Show InChI InChI=1S/C25H32N6O3S/c1-30(24-22(4-3-11-26-24)27-16-17-5-6-17)20-9-12-31(13-10-20)25(32)23-15-18-14-19(29-35(2,33)34)7-8-21(18)28-23/h3-4,7-8,11,14-15,17,20,27-29H,5-6,9-10,12-13,16H2,1-2H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1437
PNG
(5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...)
Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1437
PNG
(5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...)
Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]


(Human immunodeficiency virus type 1)		BDBM1317
PNG
(3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...)
Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)
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n/an/a>6.00E+4n/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L]


(Human immunodeficiency virus type 1)		BDBM1948
PNG
((Alkylamino)piperidine BHAP analog 4 | 3-methyl-1-...)
Show SMILES CNC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)N(C)c1ncccc1NC(C)C
Show InChI InChI=1S/C25H33N7O2/c1-16(2)28-21-6-5-11-27-23(21)31(4)19-9-12-32(13-10-19)24(33)22-15-17-14-18(29-25(34)26-3)7-8-20(17)30-22/h5-8,11,14-16,19,28,30H,9-10,12-13H2,1-4H3,(H2,26,29,34)
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n/an/an/an/an/an/an/an/an/a



Upjohn



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.

J Med Chem 39: 3769-89 (1996)


Article DOI: 10.1021/jm960158n
BindingDB Entry DOI: 10.7270/Q2XK8CQV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%