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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50005282'   
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))
BDBM50005282
PNG
(CHEMBL3114534)
Show SMILES OC(c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)n2ccccc12)c1cccnc1 |TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.88E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr


Bioorg Med Chem Lett 24: 1218-21 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.068
BindingDB Entry DOI: 10.7270/Q2FJ2J9K
More data for this
Ligand-Target Pair