BDBM50166226 (2S)-2-[(2S)-2-[(2R)-2-[2-azaniumyl-3-(4-benzoylphenyl)propanamido]-3-(4-methoxyphenyl)propanamido]-3-phenylpropanamido]-N-[(1S)-2-carbamoyl-1-{[(2S)-1-[(2R)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]carbamoyl}ethyl]pentanediamide::Vasopressin Analogue

SMILES COc1ccc(C[C@@H](NC(=O)C([NH3+])Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1

InChI Key InChIKey=FXZJGEBANGZZOG-UHFFFAOYSA-O

Data  1 KI

  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 1 hit for monomerid = 50166226   

TargetVasopressin V1a receptor(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50166226((2S)-2-[(2S)-2-[(2R)-2-[2-azaniumyl-3-(4-benzoylph...)
Affinity DataKi:  462nMAssay Description:Binding affinity against human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed