BDBM50050751 5-(3-{[({[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-methyl-amino}-2-pyrrolidin-1-yl-ethyl)-phenylcarbamoyl]-methyl}-carbamoyl)-methyl]-carbamoyl}-methyl)-carbamoyl]-methyl}-thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid; compound with triethyl-amine::CHEMBL412689

SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=IUNHMLWNMDDWJX-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 = 50050751   

TargetKappa-type opioid receptor(Guinea pig)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50050751(5-(3-{[({[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl...)
Affinity DataIC50: 166nMAssay Description:Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Mouse)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50050751(5-(3-{[({[({[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl...)
Affinity DataIC50: 421nMAssay Description:Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed