BDBM50001310 13-butyl-24-(1H-4-imidazolylmethyl)-16-(1H-3-indolylmethyl)-(6aR,16R,18aS,24R,26aS)-perhydrodipyrido[1,2-a:1,2-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL405289

SMILES CCCC[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]2CCCCN2C1=O

InChI Key InChIKey=FWBXLUTVLNUHQO-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 = 50001310   

TargetVasopressin V1a receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001310(CHEMBL405289 | 13-butyl-24-(1H-4-imidazolylmethyl)...)
Affinity DataIC50: 1.30E+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
TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001310(CHEMBL405289 | 13-butyl-24-(1H-4-imidazolylmethyl)...)
Affinity DataIC50: 72nMAssay 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 V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001310(CHEMBL405289 | 13-butyl-24-(1H-4-imidazolylmethyl)...)
Affinity DataIC50: 1.70E+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