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PubMed code 8126707

Compile data set for download or QSAR
Found 18 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 protease


(Human immunodeficiency virus type 1)
BDBM50040573
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CC#CC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,12-16H2
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040572
PNG
((E)-4-[4-(4-Chloro-phenyl)-4-hydroxy-1-oxy-piperid...)
Show SMILES OC1(CC[N+]([O-])(CC=CC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO3/c22-18-7-5-17(6-8-18)21(26)11-14-24(27,15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1-10,26H,11-15H2
PDB
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040573
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CC#CC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,12-16H2
MMDB

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Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040578
PNG
(1-Biphenyl-4-yl-4-[4-(4-chloro-phenyl)-4-hydroxy-p...)
Show SMILES OC1(CCN(CC#CC(=O)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClNO2/c28-25-14-12-24(13-15-25)27(31)16-19-29(20-17-27)18-4-7-26(30)23-10-8-22(9-11-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,31H,16-20H2
MMDB

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PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040572
PNG
((E)-4-[4-(4-Chloro-phenyl)-4-hydroxy-1-oxy-piperid...)
Show SMILES OC1(CC[N+]([O-])(CC=CC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO3/c22-18-7-5-17(6-8-18)21(26)11-14-24(27,15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1-10,26H,11-15H2
MMDB

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Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040571
PNG
(1-Biphenyl-3-yl-4-[4-(4-chloro-phenyl)-4-hydroxy-p...)
Show SMILES OC1(CCN(CC#CC(=O)c2cccc(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClNO2/c28-25-13-11-24(12-14-25)27(31)15-18-29(19-16-27)17-5-10-26(30)23-9-4-8-22(20-23)21-6-2-1-3-7-21/h1-4,6-9,11-14,20,31H,15-19H2
MMDB

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Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040571
PNG
(1-Biphenyl-3-yl-4-[4-(4-chloro-phenyl)-4-hydroxy-p...)
Show SMILES OC1(CCN(CC#CC(=O)c2cccc(c2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClNO2/c28-25-13-11-24(12-14-25)27(31)15-18-29(19-16-27)17-5-10-26(30)23-9-4-8-22(20-23)21-6-2-1-3-7-21/h1-4,6-9,11-14,20,31H,15-19H2
PDB
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UniChem

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Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040576
PNG
((E)-4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES OC1(CCN(CC1)C=CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1,3-10,13,26H,2,11-12,14-15H2
PDB
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Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040578
PNG
(1-Biphenyl-4-yl-4-[4-(4-chloro-phenyl)-4-hydroxy-p...)
Show SMILES OC1(CCN(CC#CC(=O)c2ccc(cc2)-c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClNO2/c28-25-14-12-24(13-15-25)27(31)16-19-29(20-17-27)18-4-7-26(30)23-10-8-22(9-11-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,31H,16-20H2
PDB
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UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040576
PNG
((E)-4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES OC1(CCN(CC1)C=CCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h1,3-10,13,26H,2,11-12,14-15H2
MMDB

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB
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Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040575
PNG
((Z)-4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES OCCSC(CC(=O)c1ccccc1)=CN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClNO3S/c24-20-8-6-19(7-9-20)23(28)10-12-25(13-11-23)17-21(29-15-14-26)16-22(27)18-4-2-1-3-5-18/h1-9,17,26,28H,10-16H2
MMDB

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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
MMDB

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Article
PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040575
PNG
((Z)-4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-y...)
Show SMILES OCCSC(CC(=O)c1ccccc1)=CN1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClNO3S/c24-20-8-6-19(7-9-20)23(28)10-12-25(13-11-23)17-21(29-15-14-26)16-22(27)18-4-2-1-3-5-18/h1-9,17,26,28H,10-16H2
PDB
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UniChem
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PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040577
PNG
(4-(4-Chloro-phenyl)-1-[3-(2-phenyl-oxiranyl)-prop-...)
Show SMILES OC1(CCN(CC#CC2(CO2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO2/c23-20-9-7-18(8-10-20)21(25)12-15-24(16-13-21)14-4-11-22(17-26-22)19-5-2-1-3-6-19/h1-3,5-10,25H,12-17H2
PDB
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UniChem
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PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040577
PNG
(4-(4-Chloro-phenyl)-1-[3-(2-phenyl-oxiranyl)-prop-...)
Show SMILES OC1(CCN(CC#CC2(CO2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO2/c23-20-9-7-18(8-10-20)21(25)12-15-24(16-13-21)14-4-11-22(17-26-22)19-5-2-1-3-6-19/h1-3,5-10,25H,12-17H2
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n/an/a 2.35E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50040574
PNG
(1-Benzyl-4-(2-phenyl-oxiranylethynyl)-piperidin-4-...)
Show SMILES OC1(CCN(Cc2ccccc2)CC1)C#CC1(CO1)c1ccccc1
Show InChI InChI=1S/C22H23NO2/c24-21(11-12-22(18-25-22)20-9-5-2-6-10-20)13-15-23(16-14-21)17-19-7-3-1-4-8-19/h1-10,24H,13-18H2
MMDB

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n/an/a 2.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-2 protease expressed in E. coli strain X90


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50040574
PNG
(1-Benzyl-4-(2-phenyl-oxiranylethynyl)-piperidin-4-...)
Show SMILES OC1(CCN(Cc2ccccc2)CC1)C#CC1(CO1)c1ccccc1
Show InChI InChI=1S/C22H23NO2/c24-21(11-12-22(18-25-22)20-9-5-2-6-10-20)13-15-23(16-14-21)17-19-7-3-1-4-8-19/h1-10,24H,13-18H2
PDB
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PubMed
n/an/a 7.25E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant HIV-1 protease expressed in E. coli strain D1210


J Med Chem 37: 665-73 (1994)


Article DOI: 10.1021/jm00031a017
BindingDB Entry DOI: 10.7270/Q2WM1CG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%