BDBM50127340 (S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioic acid ((R)-1-methyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL418616

SMILES CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C

InChI Key InChIKey=IDHHFWWIAXZCEN-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50127340   

TargetMu-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127340((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Affinity DataKi:  173nMAssay Description:Binding affinity for mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127340((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity for delta opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Astrazeneca R&D Montreal

Curated by ChEMBL
LigandPNGBDBM50127340((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity for kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed