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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 = 'BDBM50074316'   
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))
BDBM50074316
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.85n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074316
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
PDB

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KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.85n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1 in rat forebrain


J Med Chem 42: 769-76 (1999)


Article DOI: 10.1021/jm980363y
BindingDB Entry DOI: 10.7270/Q2FJ2FZV
More data for this
Ligand-Target Pair