BDBM50114031 (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxamide::(S)-1-((2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenylsulfonyl)-3-hydroxyindoline-2-carbonyl)pyrrolidine-2-carboxamide::1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-benzenesulfonyl)-3-hydroxy-2,3-dihydro-1H-indole-2-carbonyl]-pyrrolidine-2-carboxylic acid amide::CHEMBL419667::Relcovaptan

SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl

InChI Key InChIKey=CEBYCSRFKCEUSW-UHFFFAOYSA-N

Data  12 KI  1 IC50

  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 = 50114031   

TargetVasopressin V1a receptor(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50114031(1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-b...)
Affinity DataKi:  0.530nMAssay Description:Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed
TargetVasopressin V1a receptor(Human)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50114031(1-[5-Chloro-3-(2-chloro-phenyl)-1-(3,4-dimethoxy-b...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2020
Entry Details Article
PubMed