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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 = 'BDBM143515'   
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))
BDBM143515
PNG
(US9682955, 99)
Show SMILES OC1(CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 |(6,3.08,;4.67,2.31,;6,1.54,;6,,;4.67,-.77,;3.33,,;3.33,1.54,;4.67,-2.31,;4.67,-3.85,;6,-4.62,;6,-6.16,;4.67,-6.93,;3.33,-6.16,;2,-6.93,;.67,-6.16,;.67,-4.62,;2,-3.85,;3.33,-4.62,;-.67,-3.85,;-2,-4.62,;-3.33,-3.85,;-4.67,-4.62,;-4.67,-6.16,;-6,-6.93,;-3.33,-6.93,;-2,-6.16,;-.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-.67,2.31,;-2,,;-2,-1.54,;4.67,3.85,;6,4.62,;6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,)|
Show InChI InChI=1S/C33H29Cl2N3O/c34-26-11-6-22(7-12-26)31(23-8-13-27(35)14-9-23)24-10-15-30-29(20-24)32(37-21-36-30)38-28-16-18-33(39,19-17-28)25-4-2-1-3-5-25/h1-15,20-21,28,31,39H,16-19H2,(H,36,37,38)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/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