BDBM50561764 CHEMBL4743180

SMILES CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1

InChI Key InChIKey=POEKRJYEMCDIMO-UHFFFAOYSA-N

Data  7 IC50  3 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 10 hits for monomerid = 50561764   

TargetKappa-type opioid receptor(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataEC50:  0.00100nMAssay Description:Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human pooled liver microsomes using testosterone as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human pooled liver microsomes using S-mephenytoin as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human pooled liver microsomes using midazolam as substrate measured up to 20 mins by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human delta opioid receptor assessed as inhibition of forskolin-induced cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50561764(CHEMBL4743180)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human mu opioid receptor assessed as inhibition of forskolin-induced cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed