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](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](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)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=GRBRUBZJAYRMRB-ILSOSLDJSA-N

Data  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279789   

TargetEndothelin-1 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50279789(CHEMBL409577 | Endothelin derivative)
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 DepthDetails Article
TargetEndothelin-1 receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50279789(CHEMBL409577 | Endothelin derivative)
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 DepthDetails Article