BDBM50048864 CHEMBL3310505

SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2

InChI Key InChIKey=OHRURASPPZQGQM-UHFFFAOYSA-N

Data  4 KI  48 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50048864   

TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 47nMAssay Description:Inhibition of human HDAC2 expressed in HEK293T cells by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 7(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HDAC7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HDAC8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HDAC9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 647nMAssay Description:Inhibition of HDAC4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 11(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of HDAC11 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Mouse)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 109nMAssay Description:Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Mouse)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 790nMAssay Description:Displacement of [3H]-acetylated histones from mouse HDAC6 transfected in HEK-293T cells incubated for 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.60nMAssay Description:Displacement of [3H]-acetylated histones from human HDAC1 transfected in HEK-293T cells incubated for 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 3.90nMAssay Description:Displacement of [3H]-acetylated histones from human HDAC2 transfected in HEK-293T cells incubated for 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 47nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 36nMAssay Description:Inhibition of human HDAC1 expressed in HEK293T cells by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 6(Mouse)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 0.625nMAssay Description:Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 510nMAssay Description:Inhibition of human HDAC4 expressed in HEK293T cells by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human HDAC6 expressed in HEK293T cells by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of HDAC1 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of HDAC2 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of HDAC3 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 180nMAssay Description:Inhibition of HDAC6 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 10nMAssay Description:Inhibition of HDAC8 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 36nMAssay Description:Inhibition of human recombinant HDAC1 using ZMAL (Z-(Ac)Lys-AMC) as fluorogenic substrate preincubated for 5 mins followed by substrate addition and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 47nMAssay Description:Inhibition of human full length recombinant HDAC2 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 10 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetHistone deacetylase 4(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 510nMAssay Description:Inhibition of human recombinant HDAC4 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetHistone deacetylase 6(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetHistone deacetylase 5(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of HDAC5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 140nMAssay Description:Inhibition of recombinant human HDAC1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2017
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 80nMAssay Description:Inhibition of recombinant human HDAC6More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2017
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 250nMAssay Description:Inhibition of HDAC in human HeLa nuclear extractMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2017
Entry Details Article
PubMed
TargetHistone deacetylase(Plasmodium falciparum (isolate 3D7))
Dipartimento Di Chimica E Tecnologie Del Farmaco "Sapienza" Universit£

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of partially purified HDAC isolated from human M8 cells enzyme fraction pre-incubated for 5 mins before [3H]acetylated histone addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PAK 1(Mouse)
Pak Research Center

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of PAK1 in v-Ha-RAS-transformed mouse NIH/3T3 cells incubated for 48 hrs by immunoblot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PAK 1(Human)
Pak Research Center

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of PAK1 in estrogen-stimulated human MCF7 cells incubated for 48 hrs by immunoblot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of HADC1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of HADC2 (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)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 790nMAssay Description:Inhibition of HADC6 (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)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 510nMAssay Description:Inhibition of HDAC4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 36nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 47nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 36nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 47nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetProtein Tat(HIV-1)
The Walter and Eliza Hall Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataEC50:  220nMAssay Description:Activation of Tat-mediated HIV1 transcription in J-Lat 10.6 cells harboring LTR driven GFP reporter co-expressing CMV driven RFP reporter assessed as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of HDAC10 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Tohoku Medical and Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of HDAC1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of HDAC2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 1nMAssay Description:Inhibition of HDAC3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataIC50: 226nMAssay Description:Inhibition of HDAC6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Chengdu University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50048864(CHEMBL3310505)
Affinity DataKi:  0.00900nMAssay Description:Binding affinity to HDAC2 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
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