BDBM50531908 Btrx-335140::CYM-53093::US10676469, Compound 142::US11124504, Cpd. No. 142

SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1

InChI Key InChIKey=CQOJHAJWCDJEAT-UHFFFAOYSA-N

Data  2 KI  14 IC50  1 EC50

  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 17 hits for monomerid = 50531908   

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

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 110nMAssay 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
TargetMu-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataEC50:  4.59E+3nMAssay Description:Agonist activity at MOR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells at 10 uM by Qpatch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysis relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Blackthorn Therapeutics

US Patent
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 1nMAssay 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
Go to US Patent

TargetKappa-type opioid receptor(Human)
Blackthorn Therapeutics

US Patent
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 0.800nMAssay 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
TargetCytochrome P450 1A2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins by LC-MS/MS analysisMore 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
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 6.50E+3nMAssay 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
TargetCytochrome P450 2C19(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes after 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataIC50: 100nMAssay 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
Go to US Patent

TargetKappa-type opioid receptor(Human)
Blackthorn Therapeutics

US Patent
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]diprenorphine from human KORMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50531908(US10676469, Compound 142 | Btrx-335140 | CYM-53093...)
Affinity DataKi:  450nMAssay Description:Binding affinity to human MORMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed