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Articleid 50029970

Compile data set for download or QSAR
Found 12 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)
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
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KEGG
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PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50214381
PNG
(CHEMBL60805)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
PDB
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UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a<1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289788
PNG
((2,4-Dichloro-phenyl)-[1-(4-isopropyl-benzenesulfo...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H19Cl2NO3S/c1-13(2)14-3-6-17(7-4-14)27(25,26)23-10-9-15(12-23)20(24)18-8-5-16(21)11-19(18)22/h3-13,20,24H,1-2H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289789
PNG
(CHEMBL294602 | [1-(Toluene-4-sulfonyl)-1H-pyrrol-3...)
Show SMILES Cc1ccc(cc1)C(O)c1ccn(c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H19NO3S/c1-14-3-7-16(8-4-14)19(21)17-11-12-20(13-17)24(22,23)18-9-5-15(2)6-10-18/h3-13,19,21H,1-2H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 4.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289786
PNG
(CHEMBL60866 | [1-(4-tert-Butyl-benzenesulfonyl)-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H21Cl2NO3S/c1-21(2,3)15-4-7-17(8-5-15)28(26,27)24-11-10-14(13-24)20(25)18-9-6-16(22)12-19(18)23/h4-13,20,25H,1-3H3
PDB
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UniProtKB/TrEMBL

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UniChem
Article
n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289783
PNG
(CHEMBL59133 | [1-(4-Chloro-benzenesulfonyl)-1H-pyr...)
Show SMILES OC(c1ccn(c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H12Cl3NO3S/c18-12-1-4-14(5-2-12)25(23,24)21-8-7-11(10-21)17(22)15-6-3-13(19)9-16(15)20/h1-10,17,22H
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289791
PNG
((2,4-Dichloro-phenyl)-[1-(toluene-4-sulfonyl)-1H-p...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl2NO3S/c1-12-2-5-15(6-3-12)25(23,24)21-9-8-13(11-21)18(22)16-7-4-14(19)10-17(16)20/h2-11,18,22H,1H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289785
PNG
((2,4-Dichloro-phenyl)-[1-(4-ethyl-benzenesulfonyl)...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H17Cl2NO3S/c1-2-13-3-6-16(7-4-13)26(24,25)22-10-9-14(12-22)19(23)17-8-5-15(20)11-18(17)21/h3-12,19,23H,2H2,1H3
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289790
PNG
((2,4-Dichloro-phenyl)-[1-(toluene-2-sulfonyl)-1H-p...)
Show SMILES Cc1ccccc1S(=O)(=O)n1ccc(c1)C(O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H15Cl2NO3S/c1-12-4-2-3-5-17(12)25(23,24)21-9-8-13(11-21)18(22)15-7-6-14(19)10-16(15)20/h2-11,18,22H,1H3
PDB
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UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289787
PNG
((1-Benzenesulfonyl-1H-pyrrol-3-yl)-(2-chloro-pheny...)
Show SMILES OC(c1ccn(c1)S(=O)(=O)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO3S/c18-16-9-5-4-8-15(16)17(20)13-10-11-19(12-13)23(21,22)14-6-2-1-3-7-14/h1-12,17,20H
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 2.95E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289792
PNG
(CHEMBL418282 | [1-(2-Amino-5-chloro-benzenesulfony...)
Show SMILES Nc1ccc(Cl)cc1S(=O)(=O)n1ccc(c1)C(O)c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3S/c18-14-6-7-15(19)16(10-14)24(22,23)20-9-8-13(11-20)17(21)12-4-2-1-3-5-12/h1-11,17,21H,19H2
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50289784
PNG
((1-Benzenesulfonyl-1H-pyrrol-3-yl)-(2,4-dichloro-p...)
Show SMILES OC(c1ccn(c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H13Cl2NO3S/c18-13-6-7-15(16(19)10-13)17(21)12-8-9-20(11-12)24(22,23)14-4-2-1-3-5-14/h1-11,17,21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 recombinant reverse transcriptase


Bioorg Med Chem Lett 7: 1931-1936 (1997)


Article DOI: 10.1016/S0960-894X(97)00340-5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%