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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P34972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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Article
PubMed
n/an/an/a 0.590n/an/an/an/an/a



NCCR-TransCure, Institute of Biochemistry and Molecular Medicine, University of Bern, Buehlstrasse 28, CH-3012 Bern, Switzerland.

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 25: 6102-6114 (2017)


Article DOI: 10.1016/j.bmc.2017.02.031
BindingDB Entry DOI: 10.7270/Q2VH5RB1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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Article
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n/an/an/a>1.00E+4n/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor


Bioorg Med Chem Lett 21: 6856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.016
BindingDB Entry DOI: 10.7270/Q2WS8TN3
More data for this
Ligand-Target Pair