Compile Data Set for Download or QSAR
Report error Found 29 Enz. Inhib. hit(s) with Target = 'Gag polyprotein'
TargetGag polyprotein(Human immunodeficiency virus type 1)
Shanghai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649396BDBM50649396(Lenacapavir | GS-6207 | GS-714207 | GS-CA-2 | GS-C...)
Affinity DataKd:  1.10nMAssay Description:Binding affinity to HIV1 Gag assessed as dissociation constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetGag polyprotein(Human immunodeficiency virus type 1)
Shanghai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50651823BDBM50651823(CHEMBL5641856)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to HIV1 Gag assessed as dissociation constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetGag polyprotein(Human immunodeficiency virus type 1)
Shanghai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50450015BDBM50450015(Bms-955176 | GSK-3532795)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to wild type HIV1 gag polyprotein containing viral like particleMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetGag polyprotein(Human immunodeficiency virus type 1)
Shanghai University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50450016BDBM50450016(CHEMBL4163247)
Affinity DataKd:  5.40nMAssay Description:Binding affinity to wild type HIV1 gag polyprotein containing viral like particleMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36656BDBM36656(Cyclobutylmethyl cyclic urea)
Affinity DataIC50: 7.80nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36657BDBM36657(2-Naphthylmethyl cyclic urea)
Affinity DataIC50: 12nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 577BDBM577(VX-478 | 141W94 | APV | BDBM50215393 | CHEMBL116 |...)
Affinity DataIC50: 13nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 519BDBM519(SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovas...)
Affinity DataIC50: 13.1nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 517BDBM517(Crixivan | CHEMBL115 | L-735, 524 | MK639 | Indina...)
Affinity DataIC50: 20nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36655BDBM36655(Cyclopropylmethyl cyclic urea)
Affinity DataIC50: 25nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 50124714BDBM50124714((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-4,...)
Affinity DataIC50: 39.5nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36658BDBM36658(n-Pentyl cyclic urea)
Affinity DataIC50: 41nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36646BDBM36646(DMP850)
Affinity DataIC50: 49nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(HIV-1)
Dupont Pharmaceuticals

LigandChemical structure of BindingDB Monomer ID 36659BDBM36659(n-Hexyl cyclic urea)
Affinity DataIC50: 130nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2011
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273882BDBM50273882(2-[3-chloro-3-phenylprop-2-enylidene]hydrazinecarb...)
Affinity DataIC50: 900nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273849BDBM50273849(1-Chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-car...)
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273851BDBM50273851(2-[(3-chloro-1H-inden-2-yl)methylene]hydrazinecarb...)
Affinity DataIC50: 1.30E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253469BDBM50253469(2-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylene]...)
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273883BDBM50273883(beta-Chloro-alpha-methylcinnamaldehyde guanylhydra...)
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273850BDBM50273850(1-Chloro-3-dihydro-4-methylnaphthalene-2-carboxald...)
Affinity DataIC50: 1.50E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273848BDBM50273848(1-Chloro-6-methoxy-3,4-dihydronaphthalene-2-carbox...)
Affinity DataIC50: 2.00E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273854BDBM50273854(1-Methoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...)
Affinity DataIC50: 3.10E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273852BDBM50273852(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Affinity DataIC50: 3.30E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273880BDBM50273880(1-Phenoxy-3,4-dihydronaphthalene-2-carboxaldehyde ...)
Affinity DataIC50: 3.50E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273847BDBM50273847(1-Chloro-7-methoxy-3,4-dihydronaphthalene-2-carbox...)
Affinity DataIC50: 3.90E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240439BDBM50240439(2-(1-Naphthalenylmethylene) hydrazinecarboximidami...)
Affinity DataIC50: 7.50E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240438BDBM50240438(N''-[(1E)-2-naphthylmethylene]carbonohydrazonic di...)
Affinity DataIC50: 7.50E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273853BDBM50273853(1-Bromo-3,4-dihydronaphthalene-2-carboxaldehyde gu...)
Affinity DataIC50: 7.80E+3nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetGag polyprotein(Avian erythroblastosis virus (strain ES4))
University of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50273881BDBM50273881(1-(1,1,1,-Trifluoromethyl)-3,4-dihydronaphthalene-...)
Affinity DataIC50: 1.20E+4nMAssay Description:Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed