BDBM50098209 22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxamido)-2,16-dihydroxy-(2S)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene (PTNI)

SMILES O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c23)C2Oc3c(O)ccc5c3[C@@]23CCN(CC2CC2)C(C5)[C@]3(O)C4)cc1C=O

InChI Key InChIKey=QWQJCNFKUGDCGU-UHFFFAOYSA-N

Data  3 KI

  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 = 50098209   

TargetDelta-type opioid receptor(Human)
University of Minnesota

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50098209BDBM50098209(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity towards delta-opioid receptor from CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
University of Minnesota

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50098209BDBM50098209(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Affinity DataKi:  15nMAssay Description:Binding affinity towards mu-opioid receptor from CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
University of Minnesota

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50098209BDBM50098209(22-cyclopropylmethyl-9-(3,4-diformylphenylcarboxam...)
Affinity DataKi:  20nMAssay Description:Binding affinity towards opioid receptor kappa 1 from CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed