BDBM50253988 CHEMBL6078340

SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@@H](OC(=O)[C@H](C)NC(=O)c4ccc(/C=C/C(=O)NO)cc4)C(=C)[C@@H]3C[C@H]12

InChI Key InChIKey=IICSKCHPPOBKKL-UHFFFAOYSA-N

Data  12 IC50  1 Kd

  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 13 hits for monomerid = 50253988   

TargetHistone deacetylase 6(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 7.70nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 52nMAssay Description:Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 53nMAssay Description:Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 57nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 42 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 62nMAssay Description:Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 11(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 265nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 42 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetSignal transducer and activator of transcription 3(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 350nMAssay Description:Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 8(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 1.42E+3nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetSignal transducer and activator of transcription 3(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataKd:  2.52E+3nMAssay Description:Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 9(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of BACE1 assessed as beta amyloid 42 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 5(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 7(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed
TargetHistone deacetylase 4(Human)
Wuyi University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50253988BDBM50253988(CHEMBL6078340)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details Article
PubMed