BDBM50112661 (2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-methoxy-phenyl)-chroman-3-carboxylic acid::2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-methoxy-phenyl)-chroman-3-carboxylic acid::CHEMBL435773

SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O

InChI Key InChIKey=LXUQPMZLEMKTGW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50112661   

TargetEndothelin-1 receptor(Rat)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50112661((2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-...)
Affinity DataIC50: 1.30nMAssay Description:Binding affinity for endothelin A receptor by inhibition of [125I]ET1 binding in rat aorta smooth muscle cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin receptor type B(Pig)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50112661((2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-...)
Affinity DataIC50: 3.40E+3nMAssay Description:Binding affinity to endothelin B receptor measured by inhibition of [125I]ET-3 binding recombinant pig ET-B receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Rat)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50112661((2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-...)
Affinity DataIC50: 1.30nMAssay Description:Ability to displace [125I]ET1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed