BDBM50188454 CHEMBL434380::[N-alpha-Me-4Aph(CO-NH-OCH3)5,D-4Aph(CO-NH-OCH3)6]degarelix

SMILES CONC(=O)Nc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccc(NC(=O)NOC)cc2)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1

InChI Key InChIKey=IIUICBOKUIDWPO-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50188454   

TargetGonadotropin-releasing hormone receptor(Human)
Salk Institute

Curated by ChEMBL
LigandPNGBDBM50188454([N-alpha-Me-4Aph(CO-NH-OCH3)5,D-4Aph(CO-NH-OCH3)6]...)
Affinity DataIC50: 0.700nMAssay Description:Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed