BDBM50406692 CHEMBL2112249

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O

InChI Key InChIKey=ILLSOIRJMQNTIA-UHFFFAOYSA-N

Data  3 KI  4 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 7 hits for monomerid = 50406692   

TargetVasopressin V1a receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataIC50: 2.60E+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
TargetVasopressin V2 receptor(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataIC50: 810nMAssay Description:Ability to inhibit AVP stimulation of adenylate cyclase activity in the rat kidney medulla (AVP-V2) receptorMore 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
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataIC50: 2.20nMAssay Description:Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.More 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
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataIC50: 910nMAssay 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
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataKi:  0.700nMAssay 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
TargetOxytocin receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataKi:  5.10nMAssay 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
TargetOxytocin receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50406692(CHEMBL2112249)
Affinity DataKi:  5.10nMAssay 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