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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 = 'BDBM50432722'   
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))
BDBM50432722
PNG
(CHEMBL2348467)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](CCO)CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 |r,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C27H38O3/c1-26(2)22-4-3-16(5-6-28)10-21(22)25-23(29)11-20(12-24(25)30-26)27-13-17-7-18(14-27)9-19(8-17)15-27/h11-12,16-19,21-22,28-29H,3-10,13-15H2,1-2H3/t16-,17?,18?,19?,21+,22+,27?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cell membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50432722
PNG
(CHEMBL2348467)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](CCO)CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 |r,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C27H38O3/c1-26(2)22-4-3-16(5-6-28)10-21(22)25-23(29)11-20(12-24(25)30-26)27-13-17-7-18(14-27)9-19(8-17)15-27/h11-12,16-19,21-22,28-29H,3-10,13-15H2,1-2H3/t16-,17?,18?,19?,21+,22+,27?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen membrane by competitive binding assay


J Med Chem 56: 3904-21 (2013)


Article DOI: 10.1021/jm4000775
BindingDB Entry DOI: 10.7270/Q2VQ3429
More data for this
Ligand-Target Pair