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PubMed code 9719591

Compile data set for download or QSAR
Found 22 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066461
PNG
(CHEMBL326408 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C
Show InChI InChI=1S/C35H48N6O7S/c1-22(2)29(38-33(45)47-6)31(43)37-26(17-23-11-9-8-10-12-23)27(42)20-41(40-32(44)30(35(3,4)5)39-34(46)48-7)19-24-13-15-25(16-14-24)28-18-36-21-49-28/h8-16,18,21-22,26-27,29-30,42H,17,19-20H2,1-7H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)/t26-,27-,29-,30+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066474
PNG
(((S)-1-{(1S,2S)-1-Benzyl-2-hydroxy-3-[N'-((S)-2-me...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C35H48N6O7S/c1-22(2)29(38-33(45)47-6)31(43)40-41(19-24-13-15-25(16-14-24)28-18-36-21-49-28)20-27(42)26(17-23-11-9-8-10-12-23)37-32(44)30(35(3,4)5)39-34(46)48-7/h8-16,18,21-22,26-27,29-30,42H,17,19-20H2,1-7H3,(H,37,44)(H,38,45)(H,39,46)(H,40,43)/t26-,27-,29-,30+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066462
PNG
(CHEMBL326347 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCC(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C29H49N5O7/c1-18(2)14-15-34(33-27(37)25(20(5)6)32-29(39)41-8)17-23(35)22(16-21-12-10-9-11-13-21)30-26(36)24(19(3)4)31-28(38)40-7/h9-13,18-20,22-25,35H,14-17H2,1-8H3,(H,30,36)(H,31,38)(H,32,39)(H,33,37)/t22-,23-,24-,25-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066473
PNG
(CHEMBL325900 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nccs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C
Show InChI InChI=1S/C35H48N6O7S/c1-22(2)28(38-33(45)47-6)30(43)37-26(19-23-11-9-8-10-12-23)27(42)21-41(40-31(44)29(35(3,4)5)39-34(46)48-7)20-24-13-15-25(16-14-24)32-36-17-18-49-32/h8-18,22,26-29,42H,19-21H2,1-7H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)/t26-,27-,28-,29+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066476
PNG
(CHEMBL333386 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C
Show InChI InChI=1S/C37H50N6O7/c1-24(2)31(40-35(47)49-6)33(45)39-29(21-25-13-9-8-10-14-25)30(44)23-43(42-34(46)32(37(3,4)5)41-36(48)50-7)22-26-16-18-27(19-17-26)28-15-11-12-20-38-28/h8-20,24,29-32,44H,21-23H2,1-7H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t29-,30-,31-,32+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066459
PNG
(((S)-1-{(1S,2S)-1-Benzyl-3-[N'-((S)-2-ethoxycarbon...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C36H50N6O7S/c1-8-49-35(47)39-30(23(2)3)32(44)41-42(20-25-14-16-26(17-15-25)29-19-37-22-50-29)21-28(43)27(18-24-12-10-9-11-13-24)38-33(45)31(36(4,5)6)40-34(46)48-7/h9-17,19,22-23,27-28,30-31,43H,8,18,20-21H2,1-7H3,(H,38,45)(H,39,47)(H,40,46)(H,41,44)/t27-,28-,30-,31+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM13934
PNG
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066475
PNG
(((S)-1-{N'-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarb...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nnn(C)n1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H51N9O7/c1-34(2,3)27(37-32(48)50-8)30(46)36-25(19-22-13-11-10-12-14-22)26(45)21-44(41-31(47)28(35(4,5)6)38-33(49)51-9)20-23-15-17-24(18-16-23)29-39-42-43(7)40-29/h10-18,25-28,45H,19-21H2,1-9H3,(H,36,46)(H,37,48)(H,38,49)(H,41,47)/t25-,26-,27+,28+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066472
PNG
(((S)-1-{(1S,2S)-1-Benzyl-2-hydroxy-3-[N'-((S)-2-me...)
Show SMILES CCC(C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C37H50N6O7/c1-7-25(4)33(41-37(48)50-6)34(45)39-30(21-26-13-9-8-10-14-26)31(44)23-43(42-35(46)32(24(2)3)40-36(47)49-5)22-27-16-18-28(19-17-27)29-15-11-12-20-38-29/h8-20,24-25,30-33,44H,7,21-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t25?,30-,31-,32-,33-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066468
PNG
(CHEMBL324521 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C36H48N6O7/c1-23(2)31(39-35(46)48-5)33(44)38-29(20-25-12-8-7-9-13-25)30(43)22-42(41-34(45)32(24(3)4)40-36(47)49-6)21-26-15-17-27(18-16-26)28-14-10-11-19-37-28/h7-19,23-24,29-32,43H,20-22H2,1-6H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t29-,30-,31-,32-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066463
PNG
(((S)-1-{(1S,2S)-1-Benzyl-2-hydroxy-3-[N'-((S)-2-me...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C37H50N6O7/c1-24(2)31(40-35(47)49-6)33(45)42-43(22-26-16-18-27(19-17-26)28-15-11-12-20-38-28)23-30(44)29(21-25-13-9-8-10-14-25)39-34(46)32(37(3,4)5)41-36(48)50-7/h8-20,24,29-32,44H,21-23H2,1-7H3,(H,39,46)(H,40,47)(H,41,48)(H,42,45)/t29-,30-,31-,32+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066465
PNG
(CHEMBL442013 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C34H46N6O7S/c1-21(2)29(37-33(44)46-5)31(42)36-26(16-23-10-8-7-9-11-23)27(41)19-40(39-32(43)30(22(3)4)38-34(45)47-6)18-24-12-14-25(15-13-24)28-17-35-20-48-28/h7-15,17,20-22,26-27,29-30,41H,16,18-19H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t26-,27-,29-,30-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066467
PNG
(CHEMBL114039 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nccs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H50N6O7S/c1-35(2,3)28(39-33(46)48-7)30(44)38-26(20-23-12-10-9-11-13-23)27(43)22-42(41-31(45)29(36(4,5)6)40-34(47)49-8)21-24-14-16-25(17-15-24)32-37-18-19-50-32/h9-19,26-29,43H,20-22H2,1-8H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t26-,27-,28+,29+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066469
PNG
(CHEMBL113943 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)Cc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C37H50N6O7/c1-7-50-37(48)41-33(25(4)5)35(46)42-43(22-27-16-18-28(19-17-27)29-15-11-12-20-38-29)23-31(44)30(21-26-13-9-8-10-14-26)39-34(45)32(24(2)3)40-36(47)49-6/h8-20,24-25,30-33,44H,7,21-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t30-,31-,32-,33-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066471
PNG
(((S)-1-{N'-Biphenyl-4-ylmethyl-N'-[(2S,3S)-2-hydro...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C37H49N5O7/c1-24(2)32(39-36(46)48-5)34(44)38-30(21-26-13-9-7-10-14-26)31(43)23-42(41-35(45)33(25(3)4)40-37(47)49-6)22-27-17-19-29(20-18-27)28-15-11-8-12-16-28/h7-20,24-25,30-33,43H,21-23H2,1-6H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t30-,31-,32-,33-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066477
PNG
(((S)-1-{N'-(4-Diethylamino-benzyl)-N'-[(2S,3S)-2-h...)
Show SMILES CCN(CC)c1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc1
Show InChI InChI=1S/C37H58N6O7/c1-11-42(12-2)27-20-18-26(19-21-27)23-43(41-33(46)31(37(6,7)8)40-35(48)50-10)24-29(44)28(22-25-16-14-13-15-17-25)38-32(45)30(36(3,4)5)39-34(47)49-9/h13-21,28-31,44H,11-12,22-24H2,1-10H3,(H,38,45)(H,39,47)(H,40,48)(H,41,46)/t28-,29-,30+,31+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066464
PNG
(CHEMBL116165 | {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1cncs1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C36H50N6O7S/c1-35(2,3)29(39-33(46)48-7)31(44)38-26(18-23-12-10-9-11-13-23)27(43)21-42(41-32(45)30(36(4,5)6)40-34(47)49-8)20-24-14-16-25(17-15-24)28-19-37-22-50-28/h9-17,19,22,26-27,29-30,43H,18,20-21H2,1-8H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t26-,27-,29+,30+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066460
PNG
(((S)-1-{N'-Biphenyl-4-ylmethyl-N'-[(2S,3S)-2-hydro...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C
Show InChI InChI=1S/C38H51N5O7/c1-25(2)32(40-36(47)49-6)34(45)39-30(22-26-14-10-8-11-15-26)31(44)24-43(42-35(46)33(38(3,4)5)41-37(48)50-7)23-27-18-20-29(21-19-27)28-16-12-9-13-17-28/h8-21,25,30-33,44H,22-24H2,1-7H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46)/t30-,31-,32-,33+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066466
PNG
(((S)-1-{N'-Biphenyl-4-ylmethyl-N'-[(2S,3S)-2-hydro...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C39H53N5O7/c1-38(2,3)32(41-36(48)50-7)34(46)40-30(23-26-15-11-9-12-16-26)31(45)25-44(43-35(47)33(39(4,5)6)42-37(49)51-8)24-27-19-21-29(22-20-27)28-17-13-10-14-18-28/h9-22,30-33,45H,23-25H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t30-,31-,32+,33+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066470
PNG
(((S)-1-{N'-[4-(2-tert-Butyl-2H-tetrazol-5-yl)-benz...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nnn(n1)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C38H57N9O7/c1-36(2,3)29(40-34(51)53-10)32(49)39-27(21-24-15-13-12-14-16-24)28(48)23-46(44-33(50)30(37(4,5)6)41-35(52)54-11)22-25-17-19-26(20-18-25)31-42-45-47(43-31)38(7,8)9/h12-20,27-30,48H,21-23H2,1-11H3,(H,39,49)(H,40,51)(H,41,52)(H,44,50)/t27-,28-,29+,30+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066458
PNG
(((S)-1-{(1S,2S)-1-Benzyl-3-[N-biphenyl-4-ylmethyl-...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C38H51N5O7/c1-25(2)32(40-36(47)49-6)34(45)42-43(23-27-18-20-29(21-19-27)28-16-12-9-13-17-28)24-31(44)30(22-26-14-10-8-11-15-26)39-35(46)33(38(3,4)5)41-37(48)50-7/h8-21,25,30-33,44H,22-24H2,1-7H3,(H,39,46)(H,40,47)(H,41,48)(H,42,45)/t30-,31-,32-,33+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM202
PNG
(CGP 53820 analog | CHEMBL324572 | ethyl N-[(1S)-1-...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCC)C(C)C
Show InChI InChI=1S/C33H55N5O7/c1-7-44-32(42)35-28(22(3)4)30(40)34-26(19-24-15-11-9-12-16-24)27(39)21-38(20-25-17-13-10-14-18-25)37-31(41)29(23(5)6)36-33(43)45-8-2/h9,11-12,15-16,22-23,25-29,39H,7-8,10,13-14,17-21H2,1-6H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 177n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.


J Med Chem 41: 3387-401 (1998)


Article DOI: 10.1021/jm970873c
BindingDB Entry DOI: 10.7270/Q2H1315D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%