BDBM50001311 24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,13S,16R,18aS,24R,26aS)-perhydropyrazino[1,2-d]pyrido[1,2-a]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone::CHEMBL435021

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]2CNCCN2C(=O)[C@H]2CCCCN2C1=O

InChI Key InChIKey=XPKURONBKQLLCO-NNEDNOOKSA-N

Data  3 KI  3 IC50

  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 6 hits for monomerid = 50001311   

TargetOxytocin receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataKi:  3.40nMAssay 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 DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataKi:  4.5nMAssay 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 DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataKi:  4.70nMAssay Description:Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataIC50:  8.40nMAssay 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 DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataIC50:  690nMAssay Description:Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001311(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Affinity DataIC50:  3.20E+4nMAssay Description:Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed