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PubMed code 7490733

Compile data set for download or QSAR
Found 59 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 [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1618
PNG
(2-ethyl-7-(hydroxymethyl)-5-methoxy-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(OC)cc(CO)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C15H16N4O3/c1-3-19-13-10(5-4-6-16-13)15(21)18-12-9(8-20)7-11(22-2)17-14(12)19/h4-7,20H,3,8H2,1-2H3,(H,18,21)
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n/an/a 50n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1584
PNG
(1l-Cyclopropyl-5,l l-dihydro-C[(phenylamino)methyl...)
Show SMILES O=C1Nc2c(CNc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H19N5O/c27-21-17-7-4-11-22-19(17)26(16-8-9-16)20-18(25-21)14(10-12-23-20)13-24-15-5-2-1-3-6-15/h1-7,10-12,16,24H,8-9,13H2,(H,25,27)
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n/an/a 60n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1599
PNG
(2-cyclopropyl-7-[4-(ethylamino)phenoxymethyl]-2,4,...)
Show SMILES CCNc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
Show InChI InChI=1S/C23H23N5O2/c1-2-24-16-5-9-18(10-6-16)30-14-15-11-13-26-22-20(15)27-23(29)19-4-3-12-25-21(19)28(22)17-7-8-17/h3-6,9-13,17,24H,2,7-8,14H2,1H3,(H,27,29)
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(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 80n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1598
PNG
(4-[[(4-Aminophenyl)oxy]methyl]-ll-cyclopropyl-5,11...)
Show SMILES Nc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
Show InChI InChI=1S/C21H19N5O2/c22-14-3-7-16(8-4-14)28-12-13-9-11-24-20-18(13)25-21(27)17-2-1-10-23-19(17)26(20)15-5-6-15/h1-4,7-11,15H,5-6,12,22H2,(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1607
PNG
(2-cyclopropyl-7-ethenyl-2,4,9,15-tetraazatricyclo[...)
Show SMILES C=Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C16H14N4O/c1-2-10-7-9-18-15-13(10)19-16(21)12-4-3-8-17-14(12)20(15)11-5-6-11/h2-4,7-9,11H,1,5-6H2,(H,19,21)
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1621
PNG
(4-[(Benzyloxy)methyl]-5,1 l-dihydro-1 l-ethyl-2-hy...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(COCc3ccccc3)cc(=O)[nH]c12
Show InChI InChI=1S/C21H20N4O3/c1-2-25-19-16(9-6-10-22-19)21(27)24-18-15(11-17(26)23-20(18)25)13-28-12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H,23,26)(H,24,27)
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1580
PNG
(11-Cyclopropyl-5,l l-dihydro-4-[(phenyloxy)methyl]...)
Show SMILES O=C1Nc2c(COc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H18N4O2/c26-21-17-7-4-11-22-19(17)25(15-8-9-15)20-18(24-21)14(10-12-23-20)13-27-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13H2,(H,24,26)
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n/an/a 120n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1603
PNG
(1 1-Cyclopropyl-5,1 l-dihydro-4-(phenylmethyl)-6H-...)
Show SMILES O=C1Nc2c(Cc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H18N4O/c26-21-17-7-4-11-22-19(17)25(16-8-9-16)20-18(24-21)15(10-12-23-20)13-14-5-2-1-3-6-14/h1-7,10-12,16H,8-9,13H2,(H,24,26)
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n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1604
PNG
(1 1 -C yclopropyl-5,ll -dihydro-4- [ (2-hydroxyphe...)
Show SMILES Oc1ccccc1Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C21H18N4O2/c26-17-6-2-1-4-13(17)12-14-9-11-23-20-18(14)24-21(27)16-5-3-10-22-19(16)25(20)15-7-8-15/h1-6,9-11,15,26H,7-8,12H2,(H,24,27)
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n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1606
PNG
(2-cyclopropyl-7-[(2-hydroxy-4-methylphenyl)methyl]...)
Show SMILES Cc1ccc(Cc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c(O)c1
Show InChI InChI=1S/C22H20N4O2/c1-13-4-5-14(18(27)11-13)12-15-8-10-24-21-19(15)25-22(28)17-3-2-9-23-20(17)26(21)16-6-7-16/h2-5,8-11,16,27H,6-7,12H2,1H3,(H,25,28)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1617
PNG
(2-ethyl-5-methoxy-10-oxo-2,4,9,15-tetraazatricyclo...)
Show SMILES CCN1c2nc(OC)cc(C=O)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C15H14N4O3/c1-3-19-13-10(5-4-6-16-13)15(21)18-12-9(8-20)7-11(22-2)17-14(12)19/h4-8H,3H2,1-2H3,(H,18,21)
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n/an/a 240n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1581
PNG
(4- [ (Benzyloxy)methyl]- 11 -cyclopropyl-5,1 l-dih...)
Show SMILES O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C22H20N4O2/c27-22-18-7-4-11-23-20(18)26(17-8-9-17)21-19(25-22)16(10-12-24-21)14-28-13-15-5-2-1-3-6-15/h1-7,10-12,17H,8-9,13-14H2,(H,25,27)
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n/an/a 270n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1593
PNG
(1 1 -Cyclopropyl-5,11 hydro-4- [ [ (2-methylpheny1...)
Show SMILES Cc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C22H20N4O2/c1-14-5-2-3-7-18(14)28-13-15-10-12-24-21-19(15)25-22(27)17-6-4-11-23-20(17)26(21)16-8-9-16/h2-7,10-12,16H,8-9,13H2,1H3,(H,25,27)
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n/an/a 290n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1629
PNG
(2-ethyl-5-(3-methoxyphenyl)-10-oxo-2,4,9,15-tetraa...)
Show SMILES CCN1c2nc(cc(C=O)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H18N4O3/c1-3-25-19-16(8-5-9-22-19)21(27)24-18-14(12-26)11-17(23-20(18)25)13-6-4-7-15(10-13)28-2/h4-12H,3H2,1-2H3,(H,24,27)
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n/an/a 330n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1620
PNG
(5,11-Dihydro-ll-ethyl-2-hydroxy-(phenylmethyl)-6H-...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(=O)[nH]c12
Show InChI InChI=1S/C20H18N4O2/c1-2-24-18-15(9-6-10-21-18)20(26)23-17-14(12-16(25)22-19(17)24)11-13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3,(H,22,25)(H,23,26)
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n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1601
PNG
(11-Cyclopropyl-5,l l-dihydro-4-[[(4-cyanophenyl)ox...)
Show SMILES O=C1Nc2c(COc3ccc(cc3)C#N)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C22H17N5O2/c23-12-14-3-7-17(8-4-14)29-13-15-9-11-25-21-19(15)26-22(28)18-2-1-10-24-20(18)27(21)16-5-6-16/h1-4,7-11,16H,5-6,13H2,(H,26,28)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1624
PNG
(2-ethyl-5-hydroxy-7-(hydroxymethyl)-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(CO)cc(=O)[nH]c12
Show InChI InChI=1S/C14H14N4O3/c1-2-18-12-9(4-3-5-15-12)14(21)17-11-8(7-19)6-10(20)16-13(11)18/h3-6,19H,2,7H2,1H3,(H,16,20)(H,17,21)
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n/an/a 420n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1582
PNG
(11-Cyclopropyl-5,l l-dihydro-4-[[(2-phenylethyl)ox...)
Show SMILES O=C1Nc2c(COCCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C23H22N4O2/c28-23-19-7-4-12-24-21(19)27(18-8-9-18)22-20(26-23)17(10-13-25-22)15-29-14-11-16-5-2-1-3-6-16/h1-7,10,12-13,18H,8-9,11,14-15H2,(H,26,28)
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n/an/a 420n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1596
PNG
(1 1 -C yclopropyl-5,ll -dihydro-4- [ [ (2-hydroxyp...)
Show SMILES Oc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C21H18N4O3/c26-16-5-1-2-6-17(16)28-12-13-9-11-23-20-18(13)24-21(27)15-4-3-10-22-19(15)25(20)14-7-8-14/h1-6,9-11,14,26H,7-8,12H2,(H,24,27)
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n/an/a 460n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1631
PNG
(2-ethyl-5-(3-methoxyphenyl)-7-(phenoxymethyl)-2,4,...)
Show SMILES CCN1c2nc(cc(COc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C27H24N4O3/c1-3-31-25-22(13-8-14-28-25)27(32)30-24-19(17-34-20-10-5-4-6-11-20)16-23(29-26(24)31)18-9-7-12-21(15-18)33-2/h4-16H,3,17H2,1-2H3,(H,30,32)
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n/an/a 490n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1595
PNG
(11-Cyclopropyl-5,l-dihydr0-4-[ [ (4-methylpheny1)o...)
Show SMILES Cc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
Show InChI InChI=1S/C22H20N4O2/c1-14-4-8-17(9-5-14)28-13-15-10-12-24-21-19(15)25-22(27)18-3-2-11-23-20(18)26(21)16-6-7-16/h2-5,8-12,16H,6-7,13H2,1H3,(H,25,27)
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n/an/a 580n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1591
PNG
(11-Cyclopropyl-5,1 l-dihydro-4-(3-pyrrolinylmethyl...)
Show SMILES O=C1Nc2c(CC3=CCNC3)ccnc2N(C2CC2)c2ncccc12 |t:6|
Show InChI InChI=1S/C19H19N5O/c25-19-15-2-1-7-21-17(15)24(14-3-4-14)18-16(23-19)13(6-9-22-18)10-12-5-8-20-11-12/h1-2,5-7,9,14,20H,3-4,8,10-11H2,(H,23,25)
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n/an/a 640n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1588
PNG
(2-cyclopropyl-7-(pyrrolidin-1-ylmethyl)-2,4,9,15-t...)
Show SMILES O=C1Nc2c(CN3CCCC3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C19H21N5O/c25-19-15-4-3-8-20-17(15)24(14-5-6-14)18-16(22-19)13(7-9-21-18)12-23-10-1-2-11-23/h3-4,7-9,14H,1-2,5-6,10-12H2,(H,22,25)
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n/an/a 700n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1616
PNG
(5,l l-Dihydro-4-[2-( 1,3-dioxanyl)]-ll-ethyl-2-met...)
Show SMILES CCN1c2nc(OC)cc(C3OCCCO3)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C18H20N4O4/c1-3-22-15-11(6-4-7-19-15)17(23)21-14-12(18-25-8-5-9-26-18)10-13(24-2)20-16(14)22/h4,6-7,10,18H,3,5,8-9H2,1-2H3,(H,21,23)
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n/an/a 800n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1605
PNG
(11-C yclopropyl-5,11 -dihydro-4-[ (2-hydroxy-5-met...)
Show SMILES COc1ccc(O)c(Cc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c1
Show InChI InChI=1S/C22H20N4O3/c1-29-16-6-7-18(27)14(12-16)11-13-8-10-24-21-19(13)25-22(28)17-3-2-9-23-20(17)26(21)15-4-5-15/h2-3,6-10,12,15,27H,4-5,11H2,1H3,(H,25,28)
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n/an/a 850n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1615
PNG
(4-[(Benzyloxy)methy1]-5,1 l-dihydro-2-methoxy-6H-d...)
Show SMILES CCN1c2nc(OC)cc(COCc3ccccc3)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C22H22N4O3/c1-3-26-20-17(10-7-11-23-20)22(27)25-19-16(12-18(28-2)24-21(19)26)14-29-13-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,25,27)
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n/an/a 920n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1585
PNG
(1 l-Cyclopropyl-5,ll-dihydro-4- [ (pheny1thio)meth...)
Show SMILES O=C1Nc2c(CSc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H18N4OS/c26-21-17-7-4-11-22-19(17)25(15-8-9-15)20-18(24-21)14(10-12-23-20)13-27-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13H2,(H,24,26)
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n/an/a 1.03E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1587
PNG
(1 1-Cyclopropyl-5,l l-dihydro-4-(4-morpholinylmeth...)
Show SMILES O=C1Nc2c(CN3CCOCC3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C19H21N5O2/c25-19-15-2-1-6-20-17(15)24(14-3-4-14)18-16(22-19)13(5-7-21-18)12-23-8-10-26-11-9-23/h1-2,5-7,14H,3-4,8-12H2,(H,22,25)
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n/an/a 1.03E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1600
PNG
(11-Cyclopropyl-5,1 l-dihydro-4-[ [(4-methoxyphenyl...)
Show SMILES COc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
Show InChI InChI=1S/C22H20N4O3/c1-28-16-6-8-17(9-7-16)29-13-14-10-12-24-21-19(14)25-22(27)18-3-2-11-23-20(18)26(21)15-4-5-15/h2-3,6-12,15H,4-5,13H2,1H3,(H,25,27)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1602
PNG
(11 -C yclopropyl-5,1l-dihydro-4- [ [ (4-nitropheny...)
Show SMILES [O-][N+](=O)c1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
Show InChI InChI=1S/C21H17N5O4/c27-21-17-2-1-10-22-19(17)25(14-3-4-14)20-18(24-21)13(9-11-23-20)12-30-16-7-5-15(6-8-16)26(28)29/h1-2,5-11,14H,3-4,12H2,(H,24,27)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1578
PNG
(11-Cyclopropyl-5,l l-dihydro-4-(ethoxymethyl)-6H-d...)
Show SMILES CCOCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C17H18N4O2/c1-2-23-10-11-7-9-19-16-14(11)20-17(22)13-4-3-8-18-15(13)21(16)12-5-6-12/h3-4,7-9,12H,2,5-6,10H2,1H3,(H,20,22)
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n/an/a 1.30E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)		BDBM1584
PNG
(1l-Cyclopropyl-5,l l-dihydro-C[(phenylamino)methyl...)
Show SMILES O=C1Nc2c(CNc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H19N5O/c27-21-17-7-4-11-22-19(17)26(16-8-9-16)20-18(25-21)14(10-12-23-20)13-24-15-5-2-1-3-6-15/h1-7,10-12,16,24H,8-9,13H2,(H,25,27)
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n/an/a 1.37E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1579
PNG
(11-Cyclopropyl-5,ll-dihydro-4- [ (2-propeny1oxy)me...)
Show SMILES C=CCOCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C18H18N4O2/c1-2-10-24-11-12-7-9-20-17-15(12)21-18(23)14-4-3-8-19-16(14)22(17)13-5-6-13/h2-4,7-9,13H,1,5-6,10-11H2,(H,21,23)
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n/an/a 1.41E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1590
PNG
(11-C yclopropyl-5,1 l-dihydro-4-(l-pyrazolylmethyl...)
Show SMILES O=C1Nc2c(Cn3cccn3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C18H16N6O/c25-18-14-3-1-7-19-16(14)24(13-4-5-13)17-15(22-18)12(6-9-20-17)11-23-10-2-8-21-23/h1-3,6-10,13H,4-5,11H2,(H,22,25)
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n/an/a 2.20E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1594
PNG
(1 1-Cyclopropyl-5,l l-dihydro-4-[[(3-methylphenyl)...)
Show SMILES Cc1cccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c1
Show InChI InChI=1S/C22H20N4O2/c1-14-4-2-5-17(12-14)28-13-15-9-11-24-21-19(15)25-22(27)18-6-3-10-23-20(18)26(21)16-7-8-16/h2-6,9-12,16H,7-8,13H2,1H3,(H,25,27)
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n/an/a 2.43E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(Human immunodeficiency virus type 1)		BDBM1580
PNG
(11-Cyclopropyl-5,l l-dihydro-4-[(phenyloxy)methyl]...)
Show SMILES O=C1Nc2c(COc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C21H18N4O2/c26-21-17-7-4-11-22-19(17)25(15-8-9-15)20-18(24-21)14(10-12-23-20)13-27-16-5-2-1-3-6-16/h1-7,10-12,15H,8-9,13H2,(H,24,26)
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n/an/a 2.58E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C]


(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 2.60E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1577
PNG
(2-cyclopropyl-7-(hydroxymethyl)-2,4,9,15-tetraazat...)
Show SMILES OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O2/c20-8-9-5-7-17-14-12(9)18-15(21)11-2-1-6-16-13(11)19(14)10-3-4-10/h1-2,5-7,10,20H,3-4,8H2,(H,18,21)
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n/an/a 3.00E+3n/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1597
PNG
(1 l-Cyclopropyl-4-[[(2-chlorophenyl)oxy]methyl]-5,...)
Show SMILES Clc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C21H17ClN4O2/c22-16-5-1-2-6-17(16)28-12-13-9-11-24-20-18(13)25-21(27)15-4-3-10-23-19(15)26(20)14-7-8-14/h1-6,9-11,14H,7-8,12H2,(H,25,27)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1619
PNG
(2-ethyl-5-methoxy-7-(phenoxymethyl)-2,4,9,15-tetra...)
Show SMILES CCN1c2nc(OC)cc(COc3ccccc3)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C21H20N4O3/c1-3-25-19-16(10-7-11-22-19)21(26)24-18-14(12-17(27-2)23-20(18)25)13-28-15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,24,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1586
PNG
(4- [ (Benzy1thio)methyll- 1 1-cyclopropyl-5,1 l-di...)
Show SMILES O=C1Nc2c(CSCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C22H20N4OS/c27-22-18-7-4-11-23-20(18)26(17-8-9-17)21-19(25-22)16(10-12-24-21)14-28-13-15-5-2-1-3-6-15/h1-7,10-12,17H,8-9,13-14H2,(H,25,27)
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1611
PNG
(11-Cyclopropyl-5,1 l-dihydr0-4-(2-phenylethyl)-6H-...)
Show SMILES O=C1Nc2c(CCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C22H20N4O/c27-22-18-7-4-13-23-20(18)26(17-10-11-17)21-19(25-22)16(12-14-24-21)9-8-15-5-2-1-3-6-15/h1-7,12-14,17H,8-11H2,(H,25,27)
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n/an/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1610
PNG
((2Z)-3-{2-cyclopropyl-10-oxo-2,4,9,15-tetraazatric...)
Show SMILES OC(=O)\C=C/c1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C17H14N4O3/c22-13(23)6-3-10-7-9-19-16-14(10)20-17(24)12-2-1-8-18-15(12)21(16)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,20,24)(H,22,23)/b6-3-
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1609
PNG
(4-(2-Carbethoxyethenyl)- 11-cyclopropyl-5,1 l-dihy...)
Show SMILES CCOC(=O)\C=C/c1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C19H18N4O3/c1-2-26-15(24)8-5-12-9-11-21-18-16(12)22-19(25)14-4-3-10-20-17(14)23(18)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,22,25)/b8-5-
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1589
PNG
(1l-Cyclopropyl-5,1l-dihydro-4-(l-piperidinylmethyl...)
Show SMILES O=C1Nc2c(CN3CCCCC3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C20H23N5O/c26-20-16-5-4-9-21-18(16)25(15-6-7-15)19-17(23-20)14(8-10-22-19)13-24-11-2-1-3-12-24/h4-5,8-10,15H,1-3,6-7,11-13H2,(H,23,26)
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1583
PNG
(1 l-Cyclopropyl-5,11-dhydro-4-[[(3-phenylpropyl)ox...)
Show SMILES O=C1Nc2c(COCCCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C24H24N4O2/c29-24-20-9-4-13-25-22(20)28(19-10-11-19)23-21(27-24)18(12-14-26-23)16-30-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9,12-14,19H,5,8,10-11,15-16H2,(H,27,29)
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n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1626
PNG
(5,11-Dihydro-ll-ethy1-2-(3-methoxyphenyl)-4-(pheny...)
Show SMILES CCN1c2nc(cc(Cc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C27H24N4O2/c1-3-31-25-22(13-8-14-28-25)27(32)30-24-20(15-18-9-5-4-6-10-18)17-23(29-26(24)31)19-11-7-12-21(16-19)33-2/h4-14,16-17H,3,15H2,1-2H3,(H,30,32)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1628
PNG
(5,11-Dihydro-4-[2-(1,3-dioxanyl)]-ll-ethyl-2-(3-me...)
Show SMILES CCN1c2nc(cc(C3OCCCO3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C24H24N4O4/c1-3-28-21-17(9-5-10-25-21)23(29)27-20-18(24-31-11-6-12-32-24)14-19(26-22(20)28)15-7-4-8-16(13-15)30-2/h4-5,7-10,13-14,24H,3,6,11-12H2,1-2H3,(H,27,29)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1623
PNG
(2-ethyl-5-hydroxy-10-oxo-2,4,9,15-tetraazatricyclo...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(C=O)cc(=O)[nH]c12
Show InChI InChI=1S/C14H12N4O3/c1-2-18-12-9(4-3-5-15-12)14(21)17-11-8(7-19)6-10(20)16-13(11)18/h3-7H,2H2,1H3,(H,16,20)(H,17,21)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1627
PNG
(4-[(Benzy1oxy)methyll-5,1-dihydro-11-ethyl-2-(3-me...)
Show SMILES CCN1c2nc(cc(COCc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C28H26N4O3/c1-3-32-26-23(13-8-14-29-26)28(33)31-25-21(18-35-17-19-9-5-4-6-10-19)16-24(30-27(25)32)20-11-7-12-22(15-20)34-2/h4-16H,3,17-18H2,1-2H3,(H,31,33)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1625
PNG
(2-ethyl-5-hydroxy-7-(phenoxymethyl)-2,4,9,15-tetra...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(=O)[nH]c12
Show InChI InChI=1S/C20H18N4O3/c1-2-24-18-15(9-6-10-21-18)20(26)23-17-13(11-16(25)22-19(17)24)12-27-14-7-4-3-5-8-14/h3-11H,2,12H2,1H3,(H,22,25)(H,23,26)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1614
PNG
(5,ll-Dihydro-1 l-ethyl-2-methoxy-4-(phenylmethyl)-...)
Show SMILES CCN1c2nc(OC)cc(Cc3ccccc3)c2NC(=O)c2cccnc12
Show InChI InChI=1S/C21H20N4O2/c1-3-25-19-16(10-7-11-22-19)21(26)24-18-15(12-14-8-5-4-6-9-14)13-17(27-2)23-20(18)25/h4-11,13H,3,12H2,1-2H3,(H,24,26)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1630
PNG
(2-ethyl-7-(hydroxymethyl)-5-(3-methoxyphenyl)-2,4,...)
Show SMILES CCN1c2nc(cc(CO)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H20N4O3/c1-3-25-19-16(8-5-9-22-19)21(27)24-18-14(12-26)11-17(23-20(18)25)13-6-4-7-15(10-13)28-2/h4-11,26H,3,12H2,1-2H3,(H,24,27)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1622
PNG
(5,11-Dihydro-4-[2-( 1,3-dioxanyl)]-ll-ethyl-2-hydr...)
Show SMILES CCN1c2ncccc2C(=O)Nc2c(cc(=O)[nH]c12)C1OCCCO1
Show InChI InChI=1S/C17H18N4O4/c1-2-21-14-10(5-3-6-18-14)16(23)20-13-11(9-12(22)19-15(13)21)17-24-7-4-8-25-17/h3,5-6,9,17H,2,4,7-8H2,1H3,(H,19,22)(H,20,23)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1612
PNG
(4-(2-Carbethoxyethyl)-1l-cyclopropyl-5,1 l-dihydro...)
Show SMILES CCOC(=O)CCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C19H20N4O3/c1-2-26-15(24)8-5-12-9-11-21-18-16(12)22-19(25)14-4-3-10-20-17(14)23(18)13-6-7-13/h3-4,9-11,13H,2,5-8H2,1H3,(H,22,25)
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1608
PNG
(11-Cyclopropyl-5,l l-dihydro-4-(2-phenylethenyl)-6...)
Show SMILES O=C1Nc2c(\C=C\c3ccccc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C22H18N4O/c27-22-18-7-4-13-23-20(18)26(17-10-11-17)21-19(25-22)16(12-14-24-21)9-8-15-5-2-1-3-6-15/h1-9,12-14,17H,10-11H2,(H,25,27)/b9-8+
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Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1613
PNG
(3-{2-cyclopropyl-10-oxo-2,4,9,15-tetraazatricyclo[...)
Show SMILES OC(=O)CCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C17H16N4O3/c22-13(23)6-3-10-7-9-19-16-14(10)20-17(24)12-2-1-8-18-15(12)21(16)11-4-5-11/h1-2,7-9,11H,3-6H2,(H,20,24)(H,22,23)
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n/an/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155]


(Human immunodeficiency virus type 1)		BDBM1592
PNG
(11-C yclopropyl-5,l l-dihydro-4-( 14midazolylmethy...)
Show SMILES O=C1Nc2c(Cn3ccnc3)ccnc2N(C2CC2)c2ncccc12
Show InChI InChI=1S/C18H16N6O/c25-18-14-2-1-6-20-16(14)24(13-3-4-13)17-15(22-18)12(5-7-21-17)10-23-9-8-19-11-23/h1-2,5-9,11,13H,3-4,10H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

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Article
PubMed
n/an/an/an/an/an/an/a7.822



Boehringer Ingelheim Pharmaceuticals Inc.



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 38: 4839-47 (1995)


Article DOI: 10.1021/jm00024a011
BindingDB Entry DOI: 10.7270/Q2ZK5DV7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%