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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 = 'BDBM50312592'   
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))
BDBM50312592
PNG
(1-(1-adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c(Cl)c1 |TLB:12:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17.16.21:19|
Show InChI InChI=1S/C28H32Cl2N2O/c29-23-6-7-24(25(30)15-23)26(22-4-2-1-3-5-22)31-8-10-32(11-9-31)27(33)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-7,15,19-21,26H,8-14,16-18H2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312592
PNG
(1-(1-adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(ph...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c(Cl)c1 |TLB:12:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17.16.21:19|
Show InChI InChI=1S/C28H32Cl2N2O/c29-23-6-7-24(25(30)15-23)26(22-4-2-1-3-5-22)31-8-10-32(11-9-31)27(33)28-16-19-12-20(17-28)14-21(13-19)18-28/h1-7,15,19-21,26H,8-14,16-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ ...


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair