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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 = 'BDBM50506746'   
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))		BDBM50506746
PNG
(CHEMBL4462947)
Show SMILES CCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C |TLB:8:10:13.12.17:15,THB:8:10:13:17.16.15,11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C22H31NO3S/c1-4-5-6-17-13(2)18(20(24)26-3)19(27-17)23-21(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,4-12H2,1-3H3,(H,23,25)
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PC cid
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Article
PubMed
 59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes measured after 90 mins

Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair