BDBM50135746 (3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-isopropyl-16-(4-mercapto-but-1-enyl)-9-mercaptomethyl-1-oxa-4,7,10,13-tetraaza-cyclohexadecane-2,5,8,11,14-pentaone::CHEMBL146250

SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C

InChI Key InChIKey=MEJLVLMAJJRLCR-UHFFFAOYSA-N

Data  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50135746   

TargetHistone deacetylase 1(Human)
Aton Pharma

Curated by ChEMBL
LigandPNGBDBM50135746((3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-iso...)
Affinity DataIC50: 1.60nMAssay Description:Inhibitory concentration against human Histone deacetylase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Aton Pharma

Curated by ChEMBL
LigandPNGBDBM50135746((3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-iso...)
Affinity DataIC50: 3.90nMAssay Description:Inhibitory concentration against human Histone deacetylase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Aton Pharma

Curated by ChEMBL
LigandPNGBDBM50135746((3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-iso...)
Affinity DataIC50: 25nMAssay Description:Inhibitory concentration against human Histone deacetylase 4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Aton Pharma

Curated by ChEMBL
LigandPNGBDBM50135746((3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-iso...)
Affinity DataIC50: 57nMAssay Description:Inhibitory concentration against human Histone deacetylase 1 (C151S)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Aton Pharma

Curated by ChEMBL
LigandPNGBDBM50135746((3S,14S,15S)-6-Ethylidene-12-((R)-isopropyl)-3-iso...)
Affinity DataIC50: 790nMAssay Description:Inhibitory concentration against human Histone deacetylase 6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed