Compile Data Set for Download or QSAR
Report error Found 130 Enz. Inhib. hit(s) with all data for entry = 50021256
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50105327(JNJ-26481585 | Quisinostat)
Affinity DataIC50: 0.110nMAssay Description:Inhibition of HDAC1 (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTarget of rapamycin complex subunit LST8(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50145416(GSK2126458 | Omipalisib)
Affinity DataKi:  0.180nMAssay Description:Binding affinity to mTORC1 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTarget of rapamycin complex 2 subunit MAPKAP1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50145416(GSK2126458 | Omipalisib)
Affinity DataKi:  0.300nMAssay Description:Binding affinity to mTORC2 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50308135(PKI-587 | 1-(4-{[4-(Dimethylamino)piperidin-1-yl]c...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50623161(Gsk-1059615 | GSK-615 | GSK1059615 | GSK615 | GSK-...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50405629(CHEMBL5278435)
Affinity DataIC50: 0.460nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50623161(Gsk-1059615 | GSK-615 | GSK1059615 | GSK615 | GSK-...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50638789(CHEMBL5556732)
Affinity DataIC50: 0.640nMAssay Description:Inhibition of HDAC1 (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM27566(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Affinity DataIC50: 1nMAssay Description:Inhibition of PARP-2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50555461(CHEMBL4749655)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 1 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50308767(PKI-402 | 1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50204093(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr by HTRF as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to PI3Kdelta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50188961(CHEMBL3622533)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of HDAC1 (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50204093(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 3(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50188961(CHEMBL3622533)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of HDAC3 (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)
Affinity DataKi:  1.80nMAssay Description:Binding affinity to PI3Kalpha (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to PI3Kgamma (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM31767(3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-y...)
Affinity DataIC50: 2nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM31767(3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-y...)
Affinity DataIC50: 2nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50380313(CHEMBL1234354 | US8633204, 286)
Affinity DataKi:  2.10nMAssay Description:Binding affinity to PI3Kbeta (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 30 mins followed by substrate and ATP addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50558325(CHEMBL4746359)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of HDAC1 (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPolyamine deacetylase HDAC10(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50188961(CHEMBL3622533)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of HDAC10 (unknown origin) by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50594749(CHEMBL5170300)
Affinity DataIC50: 3nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr by HTRF as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM31767(3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-y...)
Affinity DataIC50: 3nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM31767(3-(4-morpholinopyrido[2,3]furo[2,4-b]pyrimidin-2-y...)
Affinity DataIC50: 3nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50638790(CHEMBL5564149)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50623164(CHEMBL5426067)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM19151(Depsipeptide | (1S,4S,7Z,10S,16E,21R)-7-ethylidene...)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of HDAC1 (unknown origin) by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM92862(mTOR Inhibitor, BEZ235 | US9284315, BEZ-235)
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50315907(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM25028(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kdelta (unknown origin) by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM185147(BGT-226 | (Z)-but-2-enedioic acid;8-(6-methoxypyri...)
Affinity DataIC50: 4nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50555461(CHEMBL4749655)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50638790(CHEMBL5564149)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50594749(CHEMBL5170300)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50315213(TCMDC-137004 | 2-(difluoromethyl)-1-(4,6-dimorphol...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of PI3Kdelta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50315213(TCMDC-137004 | 2-(difluoromethyl)-1-(4,6-dimorphol...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of PI3Kgamma (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50638791(CHEMBL5561169)
Affinity DataIC50: 5nMAssay Description:Inhibition of human recombinant PI3KbetaMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50188961(CHEMBL3622533)
Affinity DataIC50: 5nMAssay Description:Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM92862(mTOR Inhibitor, BEZ235 | US9284315, BEZ-235)
Affinity DataIC50: 5nMAssay Description:Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM27566(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Affinity DataIC50: 5nMAssay Description:Inhibition of C-terminal His-tagged human recombinant PARP-1 (1 to 1014 residues) expressed in Sf9 insect cells incubated for 1 hr by scintillation p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50358204(CHEMBL1922094)
Affinity DataIC50: 5nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50607920(Samotolisib | Ly-3023414 | LY 3023414 | LY-3023414...)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM92862(mTOR Inhibitor, BEZ235 | US9284315, BEZ-235)
Affinity DataIC50: 7nMAssay Description:Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM25028(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Affinity DataIC50: 8nMAssay Description:Inhibition of PI3Kalpha (unknown origin) by kinase profiling assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50591641(CHEMBL5182686)
Affinity DataIC50: 8.30nMAssay Description:Inhibition of PI3Kalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50519385(SAR-245409 | SAR245409 | Voxtalisib | XL-765 | XL7...)
Affinity DataIC50: 9nMAssay Description:Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50204093(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
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