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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 = 'BDBM50205182'   
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))		BDBM50205182
PNG
(CHEMBL230181 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-3-4-12-27(25,26)24-16(2)21(14-17-8-10-20(22)11-9-17)19-7-5-6-18(13-19)15-23/h5-11,13,16,21,24H,3-4,12,14H2,1-2H3/t16-,21+/m0/s1
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Article
PubMed
n/an/a 75.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G
More data for this
Ligand-Target Pair