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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 = 'BDBM143589'   
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))
BDBM143589
PNG
(US9682955, 64)
Show SMILES CC(C)OC(=O)OCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C38H36Cl2N4O7S/c1-24(2)51-38(46)50-23-49-37(45)27-7-14-32(15-8-27)52(47,48)44-19-17-31(18-20-44)43-36-33-21-28(9-16-34(33)41-22-42-36)35(25-3-10-29(39)11-4-25)26-5-12-30(40)13-6-26/h3-16,21-22,24,31,35H,17-20,23H2,1-2H3,(H,41,42,43)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair