BDBM50069812 CHEMBL3407784

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

InChI Key InChIKey=RVLAHZAHALVQKF-UHFFFAOYSA-N

Data  5 KI  12 IC50  8 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 25 hits for monomerid = 50069812   

TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 3.60E+4nMAssay Description:Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cell membranesMore 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
LigandPNGBDBM50069812(CHEMBL3407784)
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
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataEC50:  1.18E+3nMAssay 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
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataEC50:  131nMAssay 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
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human NET expressed in HEK293 cell membranes assessed as reduction in [3H]-norepinephrine uptake incubated for 22 mins by m...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
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 2.29E+3nMAssay Description:Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptakeMore 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
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 253nMAssay Description:Inhibition of recombinant human DAT expressed in HEK293 cell membranes assessed as reduction in [3H]-DA uptake incubated for 22 mins by micro beta sc...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
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human SERT expressed in HEK293 cell membranes assessed as reduction in [3H]5-HT uptake incubated for 22 mins by micro beta ...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
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataEC50:  2.23E+3nMAssay 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
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
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(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
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
PubMed
TargetAdenosine receptor A3(Dog)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 8.50E+3nMAssay Description:Binding affinity to canine adenosine A3 receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
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
TargetCytochrome P450 3A4(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataEC50:  0.600nMAssay Description:Agonist activity at mouse A3 adenosine receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 15 min...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataIC50: 1.29E+4nMAssay Description:Inhibition of human ERG by PDSP screeningMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataKi:  0.700nMAssay Description:Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to human A3AR assessed as inhibitor constantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataKi:  0.700nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataKi:  36nMAssay Description:Displacement of [125I]I-AB-MECA from mouse A3 adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50069812(CHEMBL3407784)
Affinity DataKi:  700nMAssay Description:Binding affinity to human adenosine A3 receptor measured by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed