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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 = 'BDBM50207795'   
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))
BDBM50207795
PNG
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)
Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207795
PNG
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)
Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
PDB

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AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair