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BDBM50011516 CHEMBL3262546

SMILES: CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12

InChI Key: InChIKey=AJLIYNOOTFOYSN-UHFFFAOYNA-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 = 50011516   
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))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
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PubMed
1.10n/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))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
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8.60n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
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56n/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))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
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n/an/an/an/a 50n/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))
BDBM50011516
PNG
(CHEMBL3262546)
Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
Show InChI InChI=1/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 29n/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