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BDBM50392548 CHEMBL2152800

SMILES: CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12

InChI Key: InChIKey=FMWROTRZBIZHIS-HVQVANDDSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50392548   
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))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17.2n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair