BDBM120777 US8710076, E-2

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(F)cccc12

InChI Key InChIKey=BVUZOFDSUCGTDO-UHFFFAOYSA-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 = 120777   

TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataIC50: 2.14E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataIC50: 2.54E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataIC50: 18nMAssay Description:Antagonist activity at human OX2R by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataIC50: 3.91E+3nMAssay Description:Antagonist activity at human OX1R by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataKi:  0.550nMAssay Description:Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2014
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataKi:  0.600nMAssay Description:Antagonist activity at human OX2R by radioligand displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Rat)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataKi:  560nMAssay Description:Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2014
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM120777(US8710076, E-2)
Affinity DataKi:  965nMAssay Description:Antagonist activity at human OX1R by radioligand displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2016
Entry Details Article
PubMed