BDBM274751 US9556190, Example 1::US9556190, Example 28

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc2c1C(=O)OC2(C)C

InChI Key InChIKey=GUWWYBWZNZHGRM-UHFFFAOYSA-N

Data  2 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 274751   

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 16nMAssay Description: In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2018
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 20nMAssay Description: In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2018
Entry Details
US Patent

TargetOrexin receptor type 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 20nMAssay Description:Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataKi:  834nMAssay Description:Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 4.67E+3nMAssay Description: In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2018
Entry Details
US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 8.29E+3nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2019
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM274751(US9556190, Example 28 | US9556190, Example 1)
Affinity DataIC50: 8.29E+3nMAssay Description: In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2018
Entry Details
US Patent