BDBM50531920 CHEMBL4434885::US10676469, Compound A

SMILES CCc1ccc2nc(N3CCC(CC3)NCC3(C)COC3)c(cc2c1)-c1nc(C)no1

InChI Key InChIKey=MYBQADLXDCDTFA-UHFFFAOYSA-N

Data  5 IC50

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

Found 5 hits for monomerid = 50531920   

TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531920(US10676469, Compound A | CHEMBL4434885)
Affinity DataIC50: 4.5nMAssay Description:Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-5...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531920(US10676469, Compound A | CHEMBL4434885)
Affinity DataIC50: 5.5nMAssay Description:The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2021
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Blackthorn Therapeutics

US Patent
LigandPNGBDBM50531920(US10676469, Compound A | CHEMBL4434885)
Affinity DataIC50: 1.00E+3nMAssay Description:The purpose of this assay is to confirm the potency and selectivity of compounds synthesized to be OPRK1 Antagonists. This assay monitors the OPRMu1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2021
Entry Details
US Patent

TargetMu-type opioid receptor(Human)
Blackthorn Therapeutics

US Patent
LigandPNGBDBM50531920(US10676469, Compound A | CHEMBL4434885)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531920(US10676469, Compound A | CHEMBL4434885)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at GAL4-VP16-fused DOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed