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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50320190   
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 1


(Homo sapiens (Human))
BDBM50320190
PNG
(CHEMBL1085259 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES COC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)12-20(28-3)18-11-17(13-4-6-14(24)7-5-13)21(27-22(18)29-23)16-9-8-15(25)10-19(16)26/h4-11,20H,12H2,1-3H3
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320190
PNG
(CHEMBL1085259 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES COC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)12-20(28-3)18-11-17(13-4-6-14(24)7-5-13)21(27-22(18)29-23)16-9-8-15(25)10-19(16)26/h4-11,20H,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.79E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair