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BDBM50058502 CHEMBL3331454

SMILES: CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1scc(C)c-21)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=SZEXBIKPJIECBH-QSRVDORCNA-N

Data: 2 KI

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 2 hits for monomerid = 50058502   
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


(MOUSE)
BDBM50058502
PNG
(CHEMBL3331454)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1scc(C)c-21)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1/C26H29Cl2N3OS/c1-13(2)17-7-5-14(3)9-20(17)29-26(32)24-18-11-22-23(15(4)12-33-22)25(18)31(30-24)21-8-6-16(27)10-19(21)28/h6,8,10,12-14,17,20H,5,7,9,11H2,1-4H3,(H,29,32)/t14-,17+,20?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058502
PNG
(CHEMBL3331454)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1scc(C)c-21)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1/C26H29Cl2N3OS/c1-13(2)17-7-5-14(3)9-20(17)29-26(32)24-18-11-22-23(15(4)12-33-22)25(18)31(30-24)21-8-6-16(27)10-19(21)28/h6,8,10,12-14,17,20H,5,7,9,11H2,1-4H3,(H,29,32)/t14-,17+,20?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.26E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair