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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 = 'BDBM50060612'   
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))		BDBM50060612
PNG
((5Z,8Z,11Z,14Z)-2,16,16-Trimethyl-docosa-5,8,11,14...)
Show SMILES CCCCCCC(C)(C)\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C27H46FNO/c1-5-6-7-18-21-27(3,4)22-19-16-14-12-10-8-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h8-9,12-15,19,22,25H,5-7,10-11,16-18,20-21,23-24H2,1-4H3,(H,29,30)/b9-8-,14-12-,15-13-,22-19-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF)

J Med Chem 40: 3617-25 (1997)


Article DOI: 10.1021/jm970212f
BindingDB Entry DOI: 10.7270/Q2D50NNF
More data for this
Ligand-Target Pair