BDBM50499067 CHEMBL4299479

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=IQKIYBUXSZWUTP-UHFFFAOYSA-N

Data  4 KI  4 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 8 hits for monomerid = 50499067   

TargetMu-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataKi:  4nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataKi:  5.60nMAssay Description:Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataKi:  7nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataIC50: 8.30nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataIC50: 12nMAssay Description:Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataIC50: 15nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetSubstance-P receptor(Rat)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataKi:  34nMAssay Description:Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
University of Arizona

Curated by ChEMBL
LigandPNGBDBM50499067(CHEMBL4299479)
Affinity DataIC50: 65nMAssay Description:Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed