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BDBM50020598 CHEMBL3290448

SMILES: C[C@@H]1C2CC(C[C@H]1NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1oc1cc(C)ccc31)C2(C)C

InChI Key: InChIKey=PXPIUDRGSNAJCI-LDTOYTENSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020598   
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)
BDBM50020598
PNG
(CHEMBL3290448)
Show SMILES C[C@@H]1C2CC(C[C@H]1NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1oc1cc(C)ccc31)C2(C)C |r|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-13-5-7-17-22(9-13)34-25-23(31-32(24(17)25)21-8-6-16(28)12-19(21)29)26(33)30-20-11-15-10-18(14(20)2)27(15,3)4/h5-9,12,14-15,18,20H,10-11H2,1-4H3,(H,30,33)/t14-,15?,18?,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 82: 281-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50020598
PNG
(CHEMBL3290448)
Show SMILES C[C@@H]1C2CC(C[C@H]1NC(=O)c1nn(-c3ccc(Cl)cc3Cl)c3c1oc1cc(C)ccc31)C2(C)C |r|
Show InChI InChI=1S/C27H27Cl2N3O2/c1-13-5-7-17-22(9-13)34-25-23(31-32(24(17)25)21-8-6-16(28)12-19(21)29)26(33)30-20-11-15-10-18(14(20)2)27(15,3)4/h5-9,12,14-15,18,20H,10-11H2,1-4H3,(H,30,33)/t14-,15?,18?,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 82: 281-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G
More data for this
Ligand-Target Pair