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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 = 'BDBM143553'   
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))
BDBM143553
PNG
(US9682955, 73)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C35H30Cl2N4O3/c1-44-35(43)25-4-2-24(3-5-25)34(42)41-18-16-29(17-19-41)40-33-30-20-26(10-15-31(30)38-21-39-33)32(22-6-11-27(36)12-7-22)23-8-13-28(37)14-9-23/h2-15,20-21,29,32H,16-19H2,1H3,(H,38,39,40)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14n/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