BDBM50166218 (2S)-2-[(2S)-2-[(2R)-2-azaniumyl-3-(4-benzoylphenyl)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 NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O

InChI Key InChIKey=DTIWVOWNECUZBT-SBOMDUJTSA-O

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50166218   

TargetVasopressin V1a receptor(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50166218((2S)-2-[(2S)-2-[(2R)-2-azaniumyl-3-(4-benzoylpheny...)
Affinity DataKi:  20nMAssay Description:Binding affinity against human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed