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BDBM50306007 CHEMBL592896::N-(6-(5-chloro-2-(pyridin-2-ylsulfonyl)phenylsulfonyl)-6-azaspiro[2.5]octan-1-yl)-1,1,1-trifluoromethanesulfonamide

SMILES: FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=JUQOWIVYUJPGSV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306007   
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))
BDBM50306007
PNG
(CHEMBL592896 | N-(6-(5-chloro-2-(pyridin-2-ylsulfo...)
Show SMILES FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H19ClF3N3O6S3/c20-13-4-5-14(33(27,28)17-3-1-2-8-24-17)15(11-13)34(29,30)26-9-6-18(7-10-26)12-16(18)25-35(31,32)19(21,22)23/h1-5,8,11,16,25H,6-7,9-10,12H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/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))
BDBM50306007
PNG
(CHEMBL592896 | N-(6-(5-chloro-2-(pyridin-2-ylsulfo...)
Show SMILES FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C19H19ClF3N3O6S3/c20-13-4-5-14(33(27,28)17-3-1-2-8-24-17)15(11-13)34(29,30)26-9-6-18(7-10-26)12-16(18)25-35(31,32)19(21,22)23/h1-5,8,11,16,25H,6-7,9-10,12H2
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/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