BDBM50279789 CHEMBL409577::Endothelin derivative

SMILES CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CSSC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC1=O

InChI Key InChIKey=GRBRUBZJAYRMRB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50279789   

TargetEndothelin-1 receptor(Rat)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279789BDBM50279789(Endothelin derivative | CHEMBL409577)
Affinity DataKd:  0.350nMAssay Description:Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2012
Entry Details Article

TargetEndothelin-1 receptor(Rat)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279789BDBM50279789(Endothelin derivative | CHEMBL409577)
Affinity DataKd:  17nMAssay 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