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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50037263   
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))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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PC sid
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Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50147009
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)
Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
748n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-55212-2 radioligand from cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50147009
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)
Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
856n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Ability to displace [3H]SR-141,716A radioligand from cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair