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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50090960'   
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))
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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Article
PubMed
466n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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Article
PubMed
504n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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Article
PubMed
n/an/an/an/a 1.81E+3n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090960
PNG
(CHEMBL3582015)
Show SMILES COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC(C)(C)Cc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN5O4/c1-26(2,12-22-30-31-24(36-22)17-6-8-18(27)9-7-17)29-23(33)20-10-11-21(32-13-19(14-32)34-3)25(28-20)35-15-16-4-5-16/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,29,33)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay


J Med Chem 58: 4266-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00283
BindingDB Entry DOI: 10.7270/Q2542QBG
More data for this
Ligand-Target Pair