BDBM50000558 CHEMBL437472::ET-1::Endothelin -1::Endothelin 1, ET-1::Endothelin derivative::Endothelin-1::c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp-Lys-Gln-Cys)-Val-Tyr-Phe-Cys)-His-Leu-Asp-Ile-Ile-Trp

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=ZUBDGKVDJUIMQQ-UHFFFAOYSA-N

Data  6 KI  8 IC50  1 Kd

  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 15 hits for monomerid = 50000558   

TargetEndothelin-1 receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.200nMAssay Description:Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article

TargetEndothelin receptor type B(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article

TargetEndothelin-1 receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKd:  0.150nMAssay Description:Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2012
Entry Details Article

TargetEndothelin-1 receptor(Pig)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.150nMAssay Description:Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B(Bovine)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.120nMAssay Description:Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.0470nMAssay Description:Inhibition of ETA receptor in human SK-N-MC cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataIC50: 0.300nMAssay Description:Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article

TargetEndothelin receptor type B(Pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.00800nMAssay Description:Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluatedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.0100nMAssay Description:Compound was evaluated for the binding affinity to Endothelin B receptor in the rat hippocampusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetEndothelin receptor type B(Rat)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.0150nMAssay Description:Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.0340nMAssay Description:Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atriumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Pig)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.0400nMAssay Description:Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluatedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin-1 receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(Endothelin-1 | ET-1 | Endothelin -1 | c(Cys-Ser-c(...)
Affinity DataKi:  0.110nMAssay Description:Compound was evaluated for the binding affinity to Endothelin A receptor in the rat aortaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed