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2 similar compounds to monomer 50325889

Compile data set for download or QSAR
Wt: 443.4
BDBM50325888
Wt: 447.5
BDBM50325891

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325888,50325891   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325891
PNG
(CHEMBL1224612 | N-(1-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)CC(C)(C)O)cc23)n1
Show InChI InChI=1S/C26H26FN3O3/c1-26(2,32)15-25(31)29-19-9-7-17-11-12-30(23(17)14-19)16-20-5-4-6-22(28-20)21-10-8-18(27)13-24(21)33-3/h4-14,32H,15-16H2,1-3H3,(H,29,31)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325888
PNG
(CHEMBL1224534 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(CO)C(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O4/c1-26(2,15-30)25(31)28-18-10-9-17-11-12-29(22(17)13-18)14-19-5-3-7-21(27-19)20-6-4-8-23-24(20)33-16-32-23/h3-13,30H,14-16H2,1-2H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
BindingDB Entry DOI: 10.7270/Q2SN0958
More data for this
Ligand-Target Pair