BDBM50236804 CHEMBL4066973

SMILES CNc1c2c(nc(n1)C#Cc3ccc(s3)Cl)n(cn2)[C@@H]4[C@H]5C[C@]5([C@H]([C@H]4O)O)C(=O)OC

InChI Key InChIKey=OXHKHNQYCDYUIU-UHFFFAOYSA-N

Data  3 KI  4 IC50  7 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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50236804   

TargetSodium-dependent dopamine transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50:  35nMAssay Description:Enhancing of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent dopamine transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50:  124nMAssay Description:Enhancing of [3H]mazindol binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50:  310nMAssay Description:Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50:  810nMAssay Description:Enhancing of [125I]RTI-55 binding to mouse DAT expressed in HEK293 cells preincubated for 10 mins followed by radioligand addition measured after 90 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50: >1.00E+4nMAssay Description:Enhancing of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50: >1.00E+4nMAssay Description:Enhancing of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50236804BDBM50236804(CHEMBL4066973)
Affinity DataEC50: >1.00E+4nMAssay Description:Enhancing of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed