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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047243   
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))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01559
BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01559
BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01559
BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair