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-NAYZPBBASA-N

Data  12 KI  1 IC50

  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 11 hits for monomerid = 50114031   

TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  0.190nMAssay Description:Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  0.520nMAssay Description:Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 384-well plate membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  0.530nMAssay Description:Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
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 DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  0.850nMAssay Description:Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
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 DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Rat)
Yamanouchi Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  1.43nMAssay Description:Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  1.48nMAssay Description:Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 384-well plate membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataKi:  2nMAssay Description:Binding affinity to vasopressin V1a receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Human)
Institute Genomics Functional (Igf)

Curated by ChEMBL
LigandPNGBDBM50114031((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)
Affinity DataIC50:  13nMAssay Description:Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed