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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50175107'   
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))
BDBM50175107
PNG
((5Z,8Z,11Z,14Z)-N-(4-morpholinophenyl)icosa-5,8,11...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(33)31-28-20-22-29(23-21-28)32-24-26-34-27-25-32/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19,24-27H2,1H3,(H,31,33)/b7-6-,10-9-,13-12-,16-15-
PDB

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PC cid
PC sid
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Article
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150n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50175107
PNG
((5Z,8Z,11Z,14Z)-N-(4-morpholinophenyl)icosa-5,8,11...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(33)31-28-20-22-29(23-21-28)32-24-26-34-27-25-32/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19,24-27H2,1H3,(H,31,33)/b7-6-,10-9-,13-12-,16-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor in presence of hydrolase inhibitor PMSF


Bioorg Med Chem Lett 16: 138-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.023
BindingDB Entry DOI: 10.7270/Q2JQ11SX
More data for this
Ligand-Target Pair