BDBM50583256 CHEMBL5087847

SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=VTAOHESMQKWEHT-UHFFFAOYSA-N

Data  1 KI  3 IC50  3 EC50

  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 7 hits for monomerid = 50583256   

TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataEC50:  0.800nMAssay Description:Agonist activity at human APJ expressed in HEK293 cell membrane assessed as dissociation of G alphai1 from the G beta gamma subunit by BRET-based G p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataIC50: 2.20nMAssay Description:Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human wildtype APJ expressed in HEK293 cell membranes incubated for 1 hr by scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataIC50: 5.40nMAssay Description:Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human APJ E20A mutant expressed in HEK293 cell membranes incubated for 1 hr by scin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataIC50: 17nMAssay Description:Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human APJ D32A mutant expressed in HEK293 cell membranes incubated for 1 hr by scin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataEC50:  49nMAssay Description:Agonist activity at human APJ expressed in HEK293 cell membrane assessed as recruitment of PDZ-RhoGEF Galpha12 to cell membrane by BRET-based G prote...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataEC50:  37nMAssay Description:Agonist activity at human APJ expressed in HEK293 cells assessed as recruitment of beta-arrestin2 to receptor by BRET-based beta-arrestin2 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetApelin receptor(Human)
University of Sherbrooke

Curated by ChEMBL
LigandPNGBDBM50583256(CHEMBL5087847)
Affinity DataKi:  0.600nMAssay Description:Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed