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BDBM50161404 CHEMBL3786486

SMILES: CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O

InChI Key: InChIKey=FGHKLORYAMQWHS-UHFFFAOYNA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50161404   
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))
BDBM50161404
PNG
(CHEMBL3786486)
Show SMILES CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O
Show InChI InChI=1/C24H28N2O/c1-25-20(16-19-7-2-4-8-21(19)23(25)27)17-26-14-12-24(13-15-26)11-10-18-6-3-5-9-22(18)24/h2-9,20H,10-17H2,1H3
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PC sid
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Article
PubMed
231n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50161404
PNG
(CHEMBL3786486)
Show SMILES CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O
Show InChI InChI=1/C24H28N2O/c1-25-20(16-19-7-2-4-8-21(19)23(25)27)17-26-14-12-24(13-15-26)11-10-18-6-3-5-9-22(18)24/h2-9,20H,10-17H2,1H3
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>250n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50161404
PNG
(CHEMBL3786486)
Show SMILES CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O
Show InChI InChI=1/C24H28N2O/c1-25-20(16-19-7-2-4-8-21(19)23(25)27)17-26-14-12-24(13-15-26)11-10-18-6-3-5-9-22(18)24/h2-9,20H,10-17H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 6.96E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells after 60 mins by liquid scintillation counting method


Eur J Med Chem 114: 345-64 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.014
BindingDB Entry DOI: 10.7270/Q2DV1MS3
More data for this
Ligand-Target Pair