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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 = 'BDBM143620'   
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))
BDBM143620
PNG
(US9682955, 3)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2N4O5S/c35-25-6-1-22(2-7-25)33(23-3-8-26(36)9-4-23)24-5-14-31-30(19-24)34(38-21-37-31)39-27-15-17-40(18-16-27)46(43,44)29-12-10-28(11-13-29)45-20-32(41)42/h1-14,19,21,27,33H,15-18,20H2,(H,41,42)(H,37,38,39)
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PC cid
PC sid
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US Patent
n/an/an/an/a 98n/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