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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50493246'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50493246
PNG
(CHEMBL2420250)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,TLB:8:7:6:2.3|
Show InChI InChI=1S/C31H36ClN/c1-21-6-8-23(9-7-21)19-33-20-24(17-28(33)25-11-12-27(32)22(2)16-25)10-13-29-30(3,4)26-14-15-31(29,5)18-26/h6-13,16-17,20,26,29H,14-15,18-19H2,1-5H3/b13-10+/t26-,29-,31+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.22E+3n/an/an/an/an/an/an/an/a



University of Texas-Pan American

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay


J Med Chem 56: 6593-612 (2013)


Article DOI: 10.1021/jm400070u
BindingDB Entry DOI: 10.7270/Q2BG2RXH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50493246
PNG
(CHEMBL2420250)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](\C=C\c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,TLB:8:7:6:2.3|
Show InChI InChI=1S/C31H36ClN/c1-21-6-8-23(9-7-21)19-33-20-24(17-28(33)25-11-12-27(32)22(2)16-25)10-13-29-30(3,4)26-14-15-31(29,5)18-26/h6-13,16-17,20,26,29H,14-15,18-19H2,1-5H3/b13-10+/t26-,29-,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Texas-Pan American

Curated by ChEMBL


Assay Description
Antagonist activity at CB2 receptor in HEK293 cells assessed as increase in CP-55,940 EC50 measuring inhibition of forskolin-stimulated cAMP accumula...


J Med Chem 56: 6593-612 (2013)


Article DOI: 10.1021/jm400070u
BindingDB Entry DOI: 10.7270/Q2BG2RXH
More data for this
Ligand-Target Pair