Compile Data Set for Download or QSAR
Report error Found 44 Enz. Inhib. hit(s) with all data for entry = 50003614
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473786(SB-203238 | CHEMBL506279)
Affinity DataKd:  427nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50006112((P-Leu-NH2) (1-Carbamoyl-3-methyl-butyl)-phosphora...)
Affinity DataKd:  1.29E+3nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetCathepsin D(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM912(PEPSTATIN | Pepstatine | N-[(3-Methyl-1-oxobutyl)-...)
Affinity DataKd:  0.00371nMAssay Description:Binding affinity against Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50004699(CHEMBL96862 | CHEBI:45262 | US11185100, TABLE 9.3)
Affinity DataKd:  1.10nMAssay Description:Binding affinity against Purine Nucleoside PhosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50038002(Benzamidine (Protonated) | CHEMBL537204 | CHEMBL20...)
Affinity DataKd:  1.82E+4nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetMast cell carboxypeptidase A(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50188513((S)-6-Amino-2-(2-amino-acetylamino)-hexanoic acid ...)
Affinity DataKd:  1.29E+5nMAssay Description:Binding affinity against Carboxypeptidase AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50473784(CHEMBL95058)
Affinity DataKd:  1.41E+3nMAssay Description:Binding affinity against Purine Nucleoside PhosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
Target6-phosphogluconate dehydrogenase, decarboxylating(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50045357(CHEBI:48928 | CHEMBL1230513)
Affinity DataKd:  2.00E+3nMAssay Description:log Kd which is the binding affinity against 6-phosphogluconate dehydrogenaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM200((2S)-N-[(2S,3R,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[...)
Affinity DataKd:  0.0347nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50473785(CHEMBL94507)
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity against Purine Nucleoside PhosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKd:  28nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50113840(4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...)
Affinity DataKd:  2.00E+7nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50044318(CHEMBL305268 | aminosulfane dioxide | METHANESULFO...)
Affinity DataKd:  1.26E+5nMAssay Description:Binding affinity against Carbonic anhydrase IIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50125842(5-amino(imino)methylamino-2-[1-[2-amino-3-phenyl-(...)
Affinity DataKd:  575nMAssay Description:Binding affinity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473787(E1203 | POLYVINYL ALCOHOL)
Affinity DataKd:  3.90nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473788(CHEMBL76414)
Affinity DataKd:  776nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50010497(CHEMBL109500 | Acetyl-Ser-Leu-Asn-Phe-[S]-[CH(OH)C...)
Affinity DataKd:  0.234nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50366480(ATP | ADENOSINE TRIPHOSPHATE)
Affinity DataKd:  69nMAssay Description:Binding affinity against Purine Nucleoside PhosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473789(Nitroanilide)
Affinity DataKd:  427nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50113826(3-phenylpropylamine | 3-Phenyl-propylamine | CHEMB...)
Affinity DataKd:  3.24E+7nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50368642(ACETYLPEPSTATIN)
Affinity DataKd:  19nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50236898((1S,2R)-(+)-2-phenylcyclopropylamine | trans-2-phe...)
Affinity DataKd:  1.32E+7nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetMast cell carboxypeptidase A(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473781(Succinic acid monobenzyl ester)
Affinity DataKd:  447nMAssay Description:Binding affinity against Carboxypeptidase AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM199((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKd:  0.0832nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473778(CHEMBL92820)
Affinity DataKd:  347nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50422052(L-700417 | CHEMBL109952)
Affinity DataKd:  0.708nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetFatty acid-binding protein, intestinal(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50152850(1-HEXYLDECANOIC ACID | Hexadecanoic acid anion | H...)
Affinity DataKd:  3.72E+3nMAssay Description:Binding affinity against Fatty acid-binding proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM66082(SMR000449324 | MLS001401431 | (2S)-2-[[4-[[2,4-bis...)
Affinity DataKd:  0.195nMAssay Description:Binding affinity against Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50113835(Integrase inhibitor, R1{2} | CHEMBL12392 | 4-fluor...)
Affinity DataKd:  4.27E+5nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
LigandPNGBDBM50473779(CHEMBL94567)
Affinity DataKd:  603nMAssay Description:Binding affinity against Purine Nucleoside PhosphataseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473780(GR-126045 | CHEMBL72751)
Affinity DataKd:  7.90nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM153(CHEMBL33647 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihyd...)
Affinity DataKd:  0.302nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM10885((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Affinity DataKd:  0.129nMAssay Description:Binding affinity against Carbonic anhydrase IIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50422014(CHEMBL319299)
Affinity DataKd:  74nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Affinity DataKd:  1.10E+7nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
Affinity DataKd:  0.589nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM198(JMC51852 Inhibitor PP | (2S)-N-[(2S,3S,4S,5S)-3,4-...)
Affinity DataKd:  0.0759nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473782(CHEMBL91805)
Affinity DataKd:  0.0631nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50129202((S)-2-Amino-4-methyl-pentanoic acid hydroxyamide |...)
Affinity DataKd:  1.91E+5nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKd:  0.977nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50473783(GR-137615 | CHEMBL312540)
Affinity DataKd:  0.204nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50113829(Decarboxylated derivative | C-Cyclohexyl-methylami...)
Affinity DataKd:  1.15E+6nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetAnionic trypsin(Bovine)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50038002(Benzamidine (Protonated) | CHEMBL537204 | CHEMBL20...)
Affinity DataKd:  1.48E+7nMAssay Description:log Kd (Binding affinity against specified protein) value of the compoundMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Harvard University

Curated by ChEMBL
LigandPNGBDBM50038066(Val-Trp | (S)-2-((S)-2-Amino-3-methyl-butyrylamino...)
Affinity DataKd:  1.23E+3nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed