BDBM50353232 CHEMBL1830424

SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C

InChI Key InChIKey=PUFPSZILMLJFEU-UHFFFAOYSA-N

Data  11 KI  7 IC50

  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 18 hits for monomerid = 50353232   

TargetCytochrome P450 2D6(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 3.17E+3nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 330nMAssay Description:Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 28nMAssay Description:Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  5.30nMAssay Description:Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  9.20nMAssay Description:Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  11nMAssay Description:Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 11(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  11nMAssay Description:Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  13nMAssay Description:Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  19nMAssay Description:Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  20nMAssay Description:Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  21nMAssay Description:Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  70nMAssay Description:Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  136nMAssay Description:Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
S*Bio

Curated by ChEMBL
LigandPNGBDBM50353232(CHEMBL1830424)
Affinity DataKi:  300nMAssay Description:Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed