BDBM50001302 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone::CHEMBL52813

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O

InChI Key InChIKey=HXGGOWUTOKFJEM-UHFFFAOYSA-N

Data  3 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 6 hits for monomerid = 50001302   

TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataIC50: 3.40E+3nMAssay 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
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataIC50: 3.30E+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
TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataIC50: 8.10E+4nMAssay 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
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetVasopressin V1a/V1b receptor(Rat)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataKi:  9.30E+3nMAssay Description:Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001302(14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]...)
Affinity DataKi:  3.30E+4nMAssay Description:Inhibition of [3H]arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed