BDBM50531913 CHEMBL4584410::US10676469, Compound 253::US11124504, Cpd. No. 250

SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1

InChI Key InChIKey=JHQQIKQJEPGCFP-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 50531913   

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

Curated by ChEMBL
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
Affinity DataIC50: 3.60nMAssay 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
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
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

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

Curated by ChEMBL
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
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
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
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
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
Affinity DataIC50: 1.20E+3nMAssay 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
LigandPNGBDBM50531913(US10676469, Compound 253 | CHEMBL4584410 | US11124...)
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