BDBM50236804 CHEMBL4066973

SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)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
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 7 hits for monomerid = 50236804   

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

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent dopamine transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236804(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 DepthDetails Article
PubMed