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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM21266'   
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))
BDBM21266
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
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PC cid
PC sid
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Similars

Article
PubMed
1.30n/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 CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21266
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair