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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50156030'   
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 2


(Homo sapiens (Human))
BDBM50156030
PNG
(CHEMBL3781729)
Show SMILES Fc1ccc2c(c1)n(CCN1CCS(=O)(=O)CC1)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:30:29:32:26.25.24,30:25:32:29.31.28,THB:28:29:26.27.32:24,28:27:24:29.31.30|
Show InChI InChI=1S/C32H37NO12S/c1-14(34)40-21-9-7-18-13-20-19-8-10-22(29-32(19,11-12-33(20)5)23(18)24(21)44-29)46-31-28(43-17(4)37)26(42-16(3)36)25(41-15(2)35)27(45-31)30(38)39-6/h7-10,19-20,22,25-29,31H,11-13H2,1-6H3/t19-,20+,22?,25?,26?,27?,28?,29-,31?,32-/m0/s1
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PC cid
PC sid
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PubMed
246n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair