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PubMed code 25703248

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))		BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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 23n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]HU-243 from CB2 receptor (unknown origin) transfected in human COS7 cells

Bioorg Med Chem 23: 1377-85 (2015)


Article DOI: 10.1016/j.bmc.2015.01.059
BindingDB Entry DOI: 10.7270/Q2Z60QRX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor

Bioorg Med Chem 23: 1377-85 (2015)


Article DOI: 10.1016/j.bmc.2015.01.059
BindingDB Entry DOI: 10.7270/Q2Z60QRX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50065011
PNG
(CHEMBL3402653)
Show SMILES CCCCCc1ccc([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:10|
Show InChI InChI=1S/C21H30O/c1-5-6-7-8-17-10-12-19(21(22)14-17)20-13-16(4)9-11-18(20)15(2)3/h10,12-14,18,20,22H,2,5-9,11H2,1,3-4H3/t18-,20+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse CB1 receptor by vas deferens assay

Bioorg Med Chem 23: 1377-85 (2015)


Article DOI: 10.1016/j.bmc.2015.01.059
BindingDB Entry DOI: 10.7270/Q2Z60QRX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%