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SMILES: CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=CDXQVQPFRQLXCB-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 98009   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM98009
PNG
(US8481743, 1)
Show SMILES CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-2-29(34)33(27-16-10-5-11-17-27)28-18-21-32(22-19-28)23-20-30(24-31,25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,28H,2,18-23H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
82.8n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM98009
PNG
(US8481743, 1)
Show SMILES CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-2-29(34)33(27-16-10-5-11-17-27)28-18-21-32(22-19-28)23-20-30(24-31,25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,28H,2,18-23H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>2.00E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair