BDBM50536278 CHEMBL4520170

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O

InChI Key InChIKey=ZDNJZRGGEPWRHQ-UHFFFAOYSA-N

Data  7 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 = 50536278   

TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  33nMAssay Description:Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  67nMAssay Description:Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  19nMAssay Description:Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  0.00100nMAssay Description:Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Gga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  41nMAssay Description:Agonist activity at human oxytocin receptor C47A mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  0.0120nMAssay Description:Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Gga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Institute of Neuroscience

Curated by ChEMBL
LigandPNGBDBM50536278(CHEMBL4520170)
Affinity DataEC50:  117nMAssay Description:Agonist activity at human oxytocin receptor V43A/C47A double mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagge...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed