BDBM50028059 CHEMBL3338866

SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC

InChI Key InChIKey=CKTWQGHVNRYNCM-UHFFFAOYSA-N

Data  5 KI  3 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 8 hits for monomerid = 50028059   

TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  0.5nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1[3H]-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human orexin-2...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  0.5nMAssay Description:Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 rec...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  1.58E+3nMAssay Description:Binding affinity to human orexin-1 receptor expressed in CHO cell membranes after 3 hrs by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  1.58E+3nMAssay Description:Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataKi:  9.50E+3nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataIC50:  1.79E+3nMAssay Description:Antagonist activity at human OX1R expressed in CHO cells by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataIC50:  18nMAssay Description:Antagonist activity at human OX2R expressed in CHO cells by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50028059(CHEMBL3338866)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed