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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 = 'BDBM50176977'   
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


(Mus musculus (Mouse))
BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor


J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.05E+3n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain


J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair