BDBM50291330 1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide::8-arginine vasopressin::AVP (Arginine-vasopressin )::Arginine-vasopressin (AVP)::CHEMBL264048::[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid(AVP)::cyclo[Cys-Tyr-Phe-Gln-Asn-Cys]-Pro-Arg-Gly-NH2

SMILES N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key InChIKey=KBZOIRJILGZLEJ-UHFFFAOYSA-N

Data  1 KI  1 EC50

  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 2 hits for monomerid = 50291330   

TargetOxytocin receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50291330(AVP (Arginine-vasopressin ) | 1-[19-Amino-13-benzy...)
Affinity DataEC50:  41nMAssay Description:Activity at oxytocin receptor expressed in COS1 cells assessed as IP-one generation by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50291330(AVP (Arginine-vasopressin ) | 1-[19-Amino-13-benzy...)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]OT from oxytocin receptor expressed in COS1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed