BDBM50001317 18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone::CHEMBL419793

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O

InChI Key InChIKey=KFHNSIZACLSCMN-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 50001317   

TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001317(CHEMBL419793 | 18-(4-Amino-butyl)-15-benzyl-3-sec-...)
Affinity DataIC50: 410nMAssay Description:Concentration required to displace 50% of [3H]arginine vasopressin from rat kidney medullary (AVP-V2a site)More 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
LigandPNGBDBM50001317(CHEMBL419793 | 18-(4-Amino-butyl)-15-benzyl-3-sec-...)
Affinity DataIC50: 1.60E+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(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001317(CHEMBL419793 | 18-(4-Amino-butyl)-15-benzyl-3-sec-...)
Affinity DataIC50: 65nMAssay 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