BDBM50088381 ADL 8-2698::Alvimopan::Entereg

SMILES C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O

InChI Key InChIKey=UPNUIXSCZBYVBB-UHFFFAOYSA-N

Data  4 KI  11 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50088381   

TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 5.01E+3nMAssay Description:Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 5.01E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 7.94E+5nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 6.31E+7nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Alkem Laboratories

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 3.20nMAssay Description:Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Alkem Laboratories

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataIC50: 3nMAssay Description:Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Alkem Laboratories

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Alkem Laboratories

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataKi:  0.770nMAssay Description:Displacement of [3H]DAMGO from human cloned mu-opioid receptor by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDelta-type opioid receptor(Human)
Theravance Biopharma Us

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2019
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
Theravance Biopharma Us

Curated by ChEMBL
LigandPNGBDBM50088381(ADL 8-2698 | Alvimopan | Entereg)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2019
Entry Details Article
PubMed