BDBM50236779 CHEMBL4086593

SMILES CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1

InChI Key InChIKey=VVAIUXGEZUTKDN-UHFFFAOYSA-N

Data  12 KI  1 EC50

  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 = 50236779   

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

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataEC50: >1.00E+3nMAssay Description:Enhancing of [3H]WIN35,428 binding to recombinant human DAT expressed in HEK293 cell membranes pre-incubated for 10 mins before radioligand addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetTransmembrane domain-containing protein TMIGD3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  6.30nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAdenosine receptor A1(Mouse)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  315nMAssay Description:Displacement of [125I]AB-MECA from recombinant mouse A1AR expressed in HEK293 cells assessed as inhibitory constant by radio ligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  597nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse A3AR expressed in HEK293T cells pre-incubated for 10 mins be...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  1.16E+3nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1AR receptor expressed in HEK293 cells assessed as inhibitory constant by radio ligand ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...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
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  3.10E+3nMAssay Description:Inhibition of [3H]nisoxetine binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand add...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  5.00E+3nMAssay Description:Displacement of [3H]Rauwolscine from human adrenergic alpha2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi:  5.00E+3nMAssay Description:Displacement of [3H]Rauwolscine from human adrenergic alpha2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Prazosin from human adrenergic alpha1B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Prazosin from human adrenergic alpha1D receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Rauwolscine from human adrenergic alpha2C receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50236779(CHEMBL4086593)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Prazosin from human adrenergic alpha1A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed