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BDBM50306002 CHEMBL595705::N-(6-(5-chloro-2-(4-methoxyphenylsulfonyl)phenylsulfonyl)-6-azaspiro[2.5]octan-1-yl)-1,1,1-trifluoromethanesulfonamide

SMILES: COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1

InChI Key: InChIKey=GRGIFSYBWKFNKG-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306002   
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))
BDBM50306002
PNG
(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22ClF3N2O7S3/c1-34-15-3-5-16(6-4-15)35(28,29)17-7-2-14(22)12-18(17)36(30,31)27-10-8-20(9-11-27)13-19(20)26-37(32,33)21(23,24)25/h2-7,12,19,26H,8-11,13H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50306002
PNG
(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22ClF3N2O7S3/c1-34-15-3-5-16(6-4-15)35(28,29)17-7-2-14(22)12-18(17)36(30,31)27-10-8-20(9-11-27)13-19(20)26-37(32,33)21(23,24)25/h2-7,12,19,26H,8-11,13H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair