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BDBM50103605 CHEMBL3527525

SMILES: Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1

InChI Key: InChIKey=VOZMMIFGJRFSNT-ZHACJKMWSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50103605   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of his-strep-tagged HDAC8 (unknown origin) expressed in SF9 cells using [3H]acetylated human histone H4 peptide as substrate by scintillat...


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
PDB
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n/an/a 2.90E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC2 (unknown origin) expressed in SF21 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation ...


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50103605
PNG
(CHEMBL3527525)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting


Drug Metab Dispos 40: 1041-50 (2012)


BindingDB Entry DOI: 10.7270/Q2SF2XX8
More data for this
Ligand-Target Pair