BDBM50342032 2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)-6-(7-aminoheptanamido)hexanamido)acetic acid::CHEMBL1765667

SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O

InChI Key InChIKey=FBFXUJQRBJTYOV-NKUVHBIJSA-N

Data  4 KI

  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 4 hits for monomerid = 50342032   

TargetVasopressin V1b receptor(Homo sapiens (Human))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50342032(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Affinity DataKi:  0.610nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50342032(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50342032(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Affinity DataKi:  266nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50342032(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Affinity DataKi:  2.20E+4nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed