BDBM50205308 (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-(2-amino-2-oxoethylamino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide::CHEMBL1429::DESMOPRESSIN::US10131692, Compound 42 (dDAVP)::dDAVP

SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key InChIKey=NFLWUMRGJYTJIN-PNIOQBSNSA-N

Data  5 KI  10 EC50

  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 15 hits for monomerid = 50205308   

TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataKi:  5.80nMAssay Description:Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataKi:  23.3nMAssay Description:Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataKi:  62.4nMAssay Description:Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(RAT)
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  6.59E+3nMAssay Description:To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetVasopressin V2 receptor(Rattus norvegicus (Rat))
University Of Montpellier

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ge...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Ferring Research Institute

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  110nMAssay Description:Agonist activity at human OTR stably expressed in CHOK1 cells by NFAT-luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  220nMAssay Description:Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetVasopressin V1b receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  11nMAssay Description:Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50: >1.00E+3nMAssay Description:Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  11nMAssay Description:Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Ferring Research Institute

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  72nMAssay Description:Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Medical College Of Ohio

Curated by ChEMBL
LigandPNGBDBM50205308((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed