BDBM50329850 (R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indol-3-ylmethyl)-2-oxo-ethylcarbamoyl]-3-methyl-but-3-enylcarbamoyl}-2-methyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid::2-((3R,6S,9R,12S,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid::CHEMBL1269102::[(1S,4R,5R)-8-(1H-Indol-3-ylmethyl)-11-((S)-isobutyl)-14-((R)-isopropyl)-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid::[(5R,8R,11S,14R,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid::[(5R,8R,11S,14R,16aS)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid::[8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid

SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C

InChI Key InChIKey=VYCMAAOURFJIHD-AOYLRGCGSA-N

Data  5 KI  8 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 13 hits for monomerid = 50329850   

TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataKi:  18nMAssay Description:Affinity against ET A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin-1 receptor(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataKi:  40nMAssay Description:Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataKi:  7.00E+3nMAssay Description:Affinity against ET B receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin receptor type B(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataKi:  3.20E+4nMAssay Description:Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Rattus norvegicus)
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataKi:  8.41E+4nMAssay Description:TP_TRANSPORTER: inhibition of BQ-485 uptake in bile canalicular membrane vesicles from SD ratMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEndothelin-1 receptor(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  14nMAssay Description:In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(RAT)
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  22nMAssay Description:Inhibitory concentration towards endothelin A receptor in rat.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50: >3.00E+4nMAssay Description:In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Sus scrofa)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  2.30E+4nMAssay Description:Compound was evaluated for the binding affinity to Endothelin B receptor in the porcine cerebellum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin receptor type B(Sus scrofa)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin-1 receptor(Sus scrofa)
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  22nMAssay Description:Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle membranes.More data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  24.8nMAssay Description:Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-1 receptor(Sus scrofa)
TBA

Curated by ChEMBL
LigandPNGBDBM50329850((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Affinity DataIC50:  2.20E+4nMAssay Description:Compound was evaluated for the binding affinity to Endothelin A receptor in the porcine aortic smooth muscleMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed