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BDBM50082776 CHEMBL3422785

SMILES: CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCN2CCOCC2)c1=O

InChI Key: InChIKey=KBIHNOMRXOXFIV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50082776   
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 2


(Homo sapiens (Human))
BDBM50082776
PNG
(CHEMBL3422785)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
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PC cid
PC sid
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Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50082776
PNG
(CHEMBL3422785)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2ccccc2n(CCN2CCOCC2)c1=O |(9.06,6.01,;7.99,5.4,;6.66,6.17,;5.33,5.4,;5.33,3.86,;6.66,3.09,;7.99,3.86,;3.99,3.08,;3.99,1.54,;5.06,.93,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;2.67,-5.39,;4.01,-6.16,;4.01,-7.7,;2.67,-8.47,;1.34,-7.7,;1.34,-6.16,;2.66,-.77,;3.73,-1.38,)|
Show InChI InChI=1S/C23H31N3O3/c1-17-6-8-19(9-7-17)24-22(27)20-16-18-4-2-3-5-21(18)26(23(20)28)11-10-25-12-14-29-15-13-25/h2-5,16-17,19H,6-15H2,1H3,(H,24,27)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 97: 10-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.034
BindingDB Entry DOI: 10.7270/Q2VQ34DS
More data for this
Ligand-Target Pair