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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 = 'BDBM50107597'   
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


(Rattus norvegicus (rat))
BDBM50107597
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccn1C
Show InChI InChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-
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PC cid
PC sid
UniChem
Article
PubMed
124n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity against G protein coupled Cannabinoid receptor 1 using [3H]WIN-55212-2 in rat cerebellum membranes


J Med Chem 46: 1512-22 (2003)


Article DOI: 10.1021/jm0210818
BindingDB Entry DOI: 10.7270/Q2GQ6ZHS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50107597
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1cccn1C
Show InChI InChI=1S/C26H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(29)27-24-25-21-20-23-28(25)2/h7-8,10-11,13-14,16-17,20-21,23H,3-6,9,12,15,18-19,22,24H2,1-2H3,(H,27,29)/b8-7-,11-10-,14-13-,17-16-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
124n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to CB1 cannabinoid receptor using [3H]WIN-55212-2 in rat cerebellum membranes


J Med Chem 44: 4505-8 (2001)


BindingDB Entry DOI: 10.7270/Q29G5NJ5
More data for this
Ligand-Target Pair