BDBM50092814 CHEMBL3586436

SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1

InChI Key InChIKey=SQOCEMCKYDVLMM-IYBDPMFKSA-N

Data  3 KI  7 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 10 hits for monomerid = 50092814   

TargetOrexin receptor type 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataKi:  10nMAssay Description:Binding affinity to human OX2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataKi:  10nMAssay Description:Binding affinity to rat OX2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataKi:  800nMAssay Description:Binding affinity to human OX2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding affinity to human OX2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50092814(CHEMBL3586436)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed