BDBM50029064 CHEMBL3343259

SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC

InChI Key InChIKey=KNGMAZMILYCGQO-NBGIEHNGSA-N

Data  4 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50029064   

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

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataKi:  5nMAssay Description:Binding affinity to human OX2R by radioligand displacement binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataKi:  14nMAssay Description:Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataKi:  106nMAssay Description:Binding affinity to human OX1R by radioligand displacement binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataKi:  123nMAssay Description:Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataIC50:  8.60E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/M...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50029064(CHEMBL3343259)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using rosiglitazone as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-M...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed