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PubMed code 7932546

Compile data set for download or QSAR
Found 5 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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM771
PNG
(3-[cyclopropyl(phenyl)methyl]-4-hydroxy-2H,5H,6H,7...)
Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1
Show InChI InChI=1S/C21H24O3/c22-20-16-10-6-1-2-7-11-17(16)24-21(23)19(20)18(15-12-13-15)14-8-4-3-5-9-14/h3-5,8-9,15,18,22H,1-2,6-7,10-13H2
PDB

UniProtKB/SwissProt

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Article
PubMed
15n/an/an/an/an/an/an/an/a



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 37: 3200-4 (1994)


Article DOI: 10.1021/jm00046a002
BindingDB Entry DOI: 10.7270/Q2KK98XK
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612]


(Human immunodeficiency virus type 2)
BDBM770
PNG
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
PubMed
32n/an/an/an/an/an/an/an/a



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 37: 3200-4 (1994)


Article DOI: 10.1021/jm00046a002
BindingDB Entry DOI: 10.7270/Q2KK98XK
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM770
PNG
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
PDB

UniProtKB/SwissProt

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Article
PubMed
38n/an/an/an/an/an/an/an/a



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 37: 3200-4 (1994)


Article DOI: 10.1021/jm00046a002
BindingDB Entry DOI: 10.7270/Q2KK98XK
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM769
PNG
(4-hydroxy-2-pyrone 6 | 4-hydroxy-6-(2-phenylethyl)...)
Show SMILES CCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O
Show InChI InChI=1S/C22H22O3/c1-2-19(17-11-7-4-8-12-17)21-20(23)15-18(25-22(21)24)14-13-16-9-5-3-6-10-16/h3-12,15,19,23H,2,13-14H2,1H3
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
500n/an/an/an/an/an/an/an/a



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 37: 3200-4 (1994)


Article DOI: 10.1021/jm00046a002
BindingDB Entry DOI: 10.7270/Q2KK98XK
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM768
PNG
(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 37: 3200-4 (1994)


Article DOI: 10.1021/jm00046a002
BindingDB Entry DOI: 10.7270/Q2KK98XK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%