BDBM81894 Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-D-Pyz-L-Pip-D-His-]::J325.349J::L-366,875

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O

InChI Key InChIKey=KHZMWMBLYZHOQJ-UHFFFAOYSA-N

Data  9 KI  3 IC50

  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 12 hits for monomerid = 81894   

TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataIC50: 6nMAssay Description:Binding affinity towards rat uterine receptor was determined using [3H]oxytocin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetVasopressin V1a receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataIC50: 4.00E+3nMAssay Description:Binding affinity towards rat liver V1a receptor was determined using [3H]arginine vasopressin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetOxytocin receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.30nMAssay Description:Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant womenMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.30nMAssay Description:Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant womenMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.30nMAssay Description:Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Rhesus macaque)
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  2.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  370nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetRat vasopressin-neurophysin(Rat)
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM81894(J325.349J | Cyclo[L-Pro-D-Trp-L-Ile-1,6-didehydro-...)
Affinity DataKi:  1.20E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed