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-UBFCDGJISA-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 3 hits for monomerid = 50000558   

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

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Affinity DataIC50:  0.300nMAssay Description:Evaluation for functional inhibitory potency prevention of ET-1 induced constriction of rat aortic rings (ETA receptors)More data for this Ligand-Target Pair
In DepthDetails Article
TargetEndothelin receptor type B(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
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 DepthDetails Article
TargetEndothelin-1 receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50000558(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)
Affinity DataIC50:  0.200nMAssay Description:Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article