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Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'adams' and Initial = 'wj'   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226485
PNG
((R)-3-(3-fluoro-4-(tetrahydro-2H-pyran-4-yl)phenyl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCOCC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O4/c16-12-7-10(18-8-13(14(17)19)22-15(18)20)1-2-11(12)9-3-5-21-6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1
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5.80E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226479
PNG
((R)-3-(3,5-difluoro-4-morpholinophenyl)-2-oxooxazo...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C14H15F2N3O4/c15-9-5-8(19-7-11(13(17)20)23-14(19)21)6-10(16)12(9)18-1-3-22-4-2-18/h5-6,11H,1-4,7H2,(H2,17,20)/t11-/m1/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226484
PNG
((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(C2CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H17FN2O5S/c16-12-7-10(18-8-13(14(17)19)23-15(18)20)1-2-11(12)9-3-5-24(21,22)6-4-9/h1-2,7,9,13H,3-6,8H2,(H2,17,19)/t13-/m1/s1
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1.05E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226480
PNG
((R)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidi...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C14H16FN3O4/c15-10-7-9(18-8-12(13(16)19)22-14(18)20)1-2-11(10)17-3-5-21-6-4-17/h1-2,7,12H,3-6,8H2,(H2,16,19)/t12-/m1/s1
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1.46E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226481
PNG
((5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H16F2N2O5S/c16-10-5-9(19-7-12(14(18)20)24-15(19)21)6-11(17)13(10)8-1-3-25(22,23)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t12-/m1/s1
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2.93E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50226482
PNG
((5R)-3-[3,5-difluoro-4-(1-oxidotetrahydro-2H-thiop...)
Show SMILES NC(=O)[C@H]1CN(C(=O)O1)c1cc(F)c(C2CCS(=O)CC2)c(F)c1
Show InChI InChI=1S/C15H16F2N2O4S/c16-10-5-9(19-7-12(14(18)20)23-15(19)21)6-11(17)13(10)8-1-3-24(22)4-2-8/h5-6,8,12H,1-4,7H2,(H2,18,20)/t8?,12-,24?/m1/s1
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3.55E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 50: 5886-9 (2007)


Article DOI: 10.1021/jm070708p
BindingDB Entry DOI: 10.7270/Q22J6BM7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against E233V mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
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n/an/a 22n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
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n/an/a 24n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064008
PNG
(6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...)
Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against P236L mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against L100I mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
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n/an/a 44n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against E233V mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
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n/an/a 44n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against L100I mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064009
PNG
(6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...)
Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
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n/an/a 55n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081628
PNG
(CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...)
Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064008
PNG
(6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...)
Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081631
PNG
(CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (P236L)


(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
HIV-1 Reverse Transcriptase


(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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081622
PNG
(CHEMBL132770 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-pro...)
Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C25H33N5O3S/c1-4-13-30(24-18(5-2)7-6-12-26-24)21-10-14-29(15-11-21)25(31)23-17-19-16-20(28-34(3,32)33)8-9-22(19)27-23/h6-9,12,16-17,21,27-28H,4-5,10-11,13-15H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081625
PNG
(CHEMBL134106 | N-(2-{4-[Ethyl-(3-methoxymethyl-pyr...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC
Show InChI InChI=1S/C24H31N5O4S/c1-4-29(23-17(16-33-2)6-5-11-25-23)20-9-12-28(13-10-20)24(30)22-15-18-14-19(27-34(3,31)32)7-8-21(18)26-22/h5-8,11,14-15,20,26-27H,4,9-10,12-13,16H2,1-3H3
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n/an/a 140n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081624
PNG
(CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...)
Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3
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n/an/a 140n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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 170n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50064007
PNG
(6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...)
Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase


J Med Chem 41: 1357-60 (1998)


Article DOI: 10.1021/jm9801049
BindingDB Entry DOI: 10.7270/Q2DJ5DS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (P236L)


(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 180n/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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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 190n/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
HIV-1 Reverse Transcriptase Mutant (P236L)


(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 200n/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
HIV-1 Reverse Transcriptase


(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 210n/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
HIV-1 Reverse Transcriptase Mutant (P236L)


(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 210n/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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50081631
PNG
(CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...)
Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC
Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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 220n/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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase


(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
HIV-1 Reverse Transcriptase Mutant (P236L)


(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
HIV-1 Reverse Transcriptase Mutant (P236L)


(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
HIV-1 Reverse Transcriptase


(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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 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/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer


J Med Chem 42: 4140-9 (1999)


Article DOI: 10.1021/jm990051a
BindingDB Entry DOI: 10.7270/Q2000192
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(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)
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