BDBM123327 US8742106, 1.6

SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C

InChI Key InChIKey=KNSSBXCHRPNPDS-LBPRGKRZSA-N

Data  4 KI  5 IC50  4 Kd

  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 13 hits for monomerid = 123327   

TargetOrexin receptor type 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKi:  2nMAssay Description:Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKi:  3nMAssay Description:Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKi:  5nMAssay Description:Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKi:  8nMAssay Description:Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKd:  8nMpH: 7.5 T: 2°CAssay Description:For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKd:  418nMpH: 7.5 T: 2°CAssay Description:For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKd:  3nMpH: 7.5 T: 2°CAssay Description:For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOrexin receptor type 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataKd:  144nMpH: 7.5 T: 2°CAssay Description:For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataIC50: >3.00E+4nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERG by QPatch assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM123327(US8742106, 1.6)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed