BDBM50139852 CHEMBL3765426::US10577361, E11

SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O

InChI Key InChIKey=UDVBAIMSAZRJGM-UHFFFAOYSA-N

Data  12 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50139852   

TargetCytochrome P450 1A2(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP1A2 expressed in bactosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C9 expressed in bactosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C19 expressed in bactosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2D6 expressed in bactosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4 expressed in bactosome using DBOMF as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4 expressed in bactosome using 7BQ as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  20nMAssay Description:Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  20nMAssay Description:Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Rat)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  31.6nMAssay Description:Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Rat)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  32nMAssay Description:Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  34.7nMAssay Description:[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2020
Entry Details
Go to US Patent

TargetMuscarinic acetylcholine receptor M1(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  1.00E+3nMAssay Description:Antagonist activity at muscarinic M1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  5.01E+3nMAssay Description:Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  5.01E+3nMAssay Description:Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  9.99E+3nMAssay Description:Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi: <1.00E+4nMAssay Description:Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50139852(CHEMBL3765426 | US10577361, E11)
Affinity DataKi:  1.10E+4nMAssay Description:CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2020
Entry Details
Go to US Patent