BDBM50571528 CHEMBL4846435

SMILES NC(=O)c1ccc2N(Cc3ccc(cc3)C(=O)NO)CCCc2c1

InChI Key InChIKey=ZRFMDXMQBRKKOA-UHFFFAOYSA-N

Data  17 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50571528   

TargetHistone deacetylase 6(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50: >100nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 8(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  651nMAssay Description:Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 2(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  140nMAssay Description:Inhibition of recombinant human HDAC2 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  235nMAssay Description:Inhibition of recombinant human HDAC3 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 4(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  454nMAssay Description:Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 5(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  276nMAssay Description:Inhibition of recombinant human HDAC5 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 7(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  109nMAssay Description:Inhibition of recombinant human HDAC7 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 9(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  650nMAssay Description:Inhibition of recombinant human HDAC9 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 11(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  5.31E+3nMAssay Description:Inhibition of recombinant human HDAC11 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  4.83E+3nMAssay Description:Inhibition of Nanoluc-fused HDAC1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NANOBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  1.37E+3nMAssay Description:Inhibition of Nanoluc-fused HDAC6 CD2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NANOBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataEC50:  140nMAssay Description:Inhibition of HDAC6 in human RPMI-8226 cells assessed as increase in tubulin acetylation incubated for 6 hrs by Western blot analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50: >100nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50: >100nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  47nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50: >100nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetHistone deacetylase 1(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50571528(CHEMBL4846435)
Affinity DataIC50:  356nMAssay Description:Inhibition of recombinant human HDAC1 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed