BDBM50066397 (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(2,2,4-trimethyl-pent-3-enyl)-pyrrolidine-3-carboxylic acid::CHEMBL324586

SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]-[#6@@H](-[#6@H](-[#6@@H]-1-[#6]C([#6])([#6])\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)-c1ccc2-[#8]-[#6]-[#8]-c2c1

InChI Key InChIKey=RLUYECFBTSJQPG-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50066397   

TargetEndothelin-1 receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50066397((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Affinity DataIC50: 2.70nMAssay Description:Binding affinity for endothelin A receptor by measuring its ability to displace [125I]ET1 from prolactin secreting rat pituitary cells(MMQ)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50066397((2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Affinity DataIC50: 6.40E+4nMAssay Description:Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed