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BDBM50011521 CHEMBL3262551

SMILES: CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12

InChI Key: InChIKey=DXLZFZXCXBEHHP-UHFFFAOYSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50011521   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
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10n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
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189n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
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468n/an/an/an/an/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
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n/an/an/an/a 72n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human nociceptin opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 min...


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50011521
PNG
(CHEMBL3262551)
Show SMILES CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C24H30N2O/c1-2-21-22-12-6-7-13-23(22)26(24(21)27)20-14-17-25(18-15-20)16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20-21H,2,8,11,14-18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 673n/an/an/an/a



Astraea Therapeutics, LLC.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by sci...


Bioorg Med Chem 22: 2508-16 (2014)


Article DOI: 10.1016/j.bmc.2014.02.047
BindingDB Entry DOI: 10.7270/Q2VH5QC2
More data for this
Ligand-Target Pair