Compile Data Set for Download or QSAR
Report error Found 48 Enz. Inhib. hit(s) with all data for entry = 50007001
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505273(CHEMBL3800574)
Affinity DataEC50:  3.79E+4nMAssay Description:Inhibition of HIV1 gp120 assessed as increase in anti-DNP binding to immobilized HIV-1 gp120 incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505272(CHEMBL4483362)
Affinity DataEC50:  1.50E+4nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505280(CHEMBL4528039)
Affinity DataEC50: >1.20E+4nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505276(CHEMBL4540823)
Affinity DataEC50:  1.12E+3nMAssay Description:Inhibition of HIV1 gp120 assessed as increase in anti-DNP binding to immobilized HIV-1 gp120 incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505277(CHEMBL4553027)
Affinity DataEC50:  570nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505278(CHEMBL4578515)
Affinity DataEC50:  500nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50501285(CHEMBL3937452)
Affinity DataEC50:  280nMAssay Description:Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataIC50: 6nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataIC50: 13nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataIC50: 17nMAssay Description:Inhibition of HIV1 protease G48V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataIC50: 19nMAssay Description:Inhibition of HIV1 protease V82F mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataIC50: 24nMAssay Description:Inhibition of HIV1 protease V82F mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121209(CHEMBL3622376)
Affinity DataIC50: 35nMAssay Description:Inhibition of human JAK3 using GGEEEEYFELVKKKK substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataIC50: 39nMAssay Description:Inhibition of HIV1 protease G48V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataIC50: 46nMAssay Description:Inhibition of HIV1 protease V82A mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataIC50: 52nMAssay Description:Inhibition of HIV1 protease V82A mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505275(CHEMBL4573432)
Affinity DataIC50: 130nMAssay Description:Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetNuclear receptor corepressor 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant human HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetNuclear receptor corepressor 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 260nMAssay Description:Inhibition of recombinant human HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505276(CHEMBL4540823)
Affinity DataIC50: 330nMAssay Description:Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121209(CHEMBL3622376)
Affinity DataIC50: 2.45E+3nMAssay Description:Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121209(CHEMBL3622376)
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121209(CHEMBL3622376)
Affinity DataIC50: 5.62E+3nMAssay Description:Inhibition of human TYK2 using KKSRGDYMTMQIG] substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50133282((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of recombinant human full length C-terminal GST-tagged HDAC1 expressed in baculovirus Sf9 insect cells using HDAC Glo I/II substrate by Ki...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505273(CHEMBL3800574)
Affinity DataIC50: 1.99E+4nMAssay Description:Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50399672(CHEMBL2178342)
Affinity DataIC50: 6.80E+4nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human His-tagged HDAC6 expressed in insect cells using Fluor de Lys as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human full length C-terminal GST-tagged HDAC1 expressed in baculovirus Sf9 insect cells using HDAC Glo I/II substrate by Ki...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human full length C-terminal GST-tagged HDAC4 (627 to end residues) expressed in baculovirus Sf9 insect cells using HDAC cl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human full length C-terminal GST-tagged HDAC4 (627 to end residues) expressed in baculovirus Sf9 insect cells using HDAC cl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121210(CHEMBL3622374)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50121211(CHEMBL3622375)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human His-tagged HDAC6 expressed in insect cells using Fluor de Lys as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505279(CHEMBL4436207)
Affinity DataKi:  0.00100nMAssay Description:Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM8125(Darunavir (DRV) | CHEMBL1323 | (3R,3aS,6aR)-hexahy...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataKi:  1.70nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataKi:  4nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rat)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505281(CHEMBL2315948)
Affinity DataKi:  8.10nMAssay Description:Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataKi:  9.70nMAssay Description:Inhibition of HIV1 protease G48V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataKi:  10nMAssay Description:Inhibition of HIV1 protease V82F mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataKi:  13nMAssay Description:Inhibition of HIV1 protease V82F mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataKi:  22nMAssay Description:Inhibition of HIV1 protease G48V mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163737(CHEMBL3799941)
Affinity DataKi:  27nMAssay Description:Inhibition of HIV1 protease V82A mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50163750(CHEMBL3797292)
Affinity DataKi:  30nMAssay Description:Inhibition of HIV1 protease V82A mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rat)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50505274(CHEMBL2315639)
Affinity DataKi:  117nMAssay Description:Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed