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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50195531'   
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))
BDBM50195531
PNG
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+
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PC sid
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Article
PubMed
213n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50195531
PNG
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+
PDB

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KEGG

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UniChem
Article
PubMed
223n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50195531
PNG
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
258n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair