Compile Data Set for Download or QSAR
maximum 50k data
Found 46 Enz. Inhib. hit(s) with all data for entry = 50036318
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041043((1-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataKi:  0.0900nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041045((4S,6S)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-te...)
Affinity DataKi:  0.140nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.150nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041023((1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataKi:  0.160nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041037((4S,6R)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-te...)
Affinity DataKi:  0.170nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041035(CHEMBL269401 | N-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihyd...)
Affinity DataKi:  0.180nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041032((1-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataKi:  0.190nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041027((4S,6S)-6-Ethyl-4-ethylamino-7,7-dioxo-4,5,6,7-tet...)
Affinity DataKi:  0.300nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  0.370nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  0.610nMAssay Description:Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041048((4S,6R)-6-Ethyl-4-ethylamino-7,7-dioxo-4,5,6,7-tet...)
Affinity DataKi:  1nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041033((4S,6S)-4-Amino-6-methyl-7,7-dioxo-4,5,6,7-tetrahy...)
Affinity DataKi:  1.5nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041026(CHEMBL10113 | N-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydr...)
Affinity DataKi:  1.70nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041041((4S,6S)-6-Methyl-4-methylamino-7,7-dioxo-4,5,6,7-t...)
Affinity DataKi:  1.90nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50005210((2-Imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)...)
Affinity DataKi:  2nMAssay Description:Compound was evaluated for the inhibitory constant of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  2nMAssay Description:Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50005186((1,5-Dimethyl-2-methylimino-1,2-dihydro-benzo[cd]i...)
Affinity DataKi:  2nMAssay Description:Compound was evaluated for the inhibitory constant of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041042((4R,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-te...)
Affinity DataKi:  15nMAssay Description:Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM200((2S)-N-[(2S,3R,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[...)
Affinity DataKi:  17nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50005203((4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-d...)
Affinity DataKi:  34nMAssay Description:Compound was evaluated for the inhibitory constant of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041028((R)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataKi:  71nMAssay Description:Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041038((S)-N-{(1S,2R,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[(S)...)
Affinity DataKi:  140nMAssay Description:Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50005190(6-{Ethyl-[4-(piperazine-1-sulfonyl)-benzyl]-amino}...)
Affinity DataKi:  1.60E+3nMAssay Description:Compound was evaluated for the inhibitory constant of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041040(CHEMBL9705 | {1-[(1S,2S,3R,4S)-1-Benzyl-4-(2-benzy...)
Affinity DataIC50:  0.220nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041034(CHEMBL9544 | {1-[(1S,2S,3S,4S)-1-Benzyl-4-(2-benzy...)
Affinity DataIC50:  0.220nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataIC50:  0.230nMAssay Description:Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041030(CHEMBL429722 | {1-[(1S,2R,3R,4S)-1-Benzyl-4-(2-ben...)
Affinity DataIC50:  0.380nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041029((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataIC50:  0.540nMAssay Description:Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041039(CHEMBL307193 | {1-[(1S,3S)-1-Benzyl-3-(2-benzyloxy...)
Affinity DataIC50:  3nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041046(2-Acetylamino-N-(1-{(1S,3S)-3-[2-(2-acetylamino-3-...)
Affinity DataIC50:  10nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50009257(((1S,2R,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...)
Affinity DataIC50:  12nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50421874(CHEMBL2311105)
Affinity DataIC50:  12nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041042((4R,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-te...)
Affinity DataIC50:  30nMAssay Description:Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014153(((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...)
Affinity DataIC50:  40nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041028((R)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Affinity DataIC50:  45nMAssay Description:Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50014151(((1S,2R,3R,4S)-1-Benzyl-4-tert-butoxycarbonylamino...)
Affinity DataIC50:  280nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041047(2-Amino-N-[(1S,3S)-3-(2-amino-3-methyl-butyrylamin...)
Affinity DataIC50:  590nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041036(((1S,3S)-1-Benzyl-3-tert-butoxycarbonylamino-2-hyd...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041044((2S,4S)-2,4-Diamino-1,5-diphenyl-pentan-3-ol | 2,4...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50009244(CHEMBL9735 | N-((1S,3S)-3-Acetylamino-1-benzyl-2-h...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041026(CHEMBL10113 | N-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydr...)
Affinity DataEC50:  280nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataEC50:  70nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041035(CHEMBL269401 | N-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihyd...)
Affinity DataEC50:  60nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041023((1-{(1S,2S,3S,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataEC50:  120nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041032((1-{(1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataEC50:  50nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50041043((1-{(1S,2S,3R,4S)-1-Benzyl-2,3-dihydroxy-4-[3-meth...)
Affinity DataEC50:  20nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed