BDBM50001307 18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19,25-heptaaza-tricyclo[19.4.0.0*9,13*]pentacos-24-ene-2,5,8,14,17,20-hexaone::CHEMBL338308

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](CCCN)NC(=O)[C@H]2CCC=NN2C1=O

InChI Key InChIKey=JDOMSHIFFAUNHK-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 = 50001307   

TargetOxytocin receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataIC50: 15nMAssay 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
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataIC50: 800nMAssay 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
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataIC50: 1.60E+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
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataKi:  6nMAssay 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(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataKi:  21nMAssay 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 Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001307(CHEMBL338308 | 18-(3-Amino-propyl)-6,15-dibenzyl-3...)
Affinity DataKi:  33nMAssay 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 Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed