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BDBM50306017 CHEMBL604704::N-((1R,5S,6s)-3-(4-chloro-2-(2-fluorophenylsulfonyl)phenylsulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl)-1,1,1-trifluoromethanesulfonamide

SMILES: Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=FZVAALMGLAJSHE-PBKGOJFUSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306017   
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))
BDBM50306017
PNG
(CHEMBL604704 | N-((1R,5S,6s)-3-(4-chloro-2-(2-fluo...)
Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C18H15ClF4N2O6S3/c19-10-5-6-15(16(7-10)32(26,27)14-4-2-1-3-13(14)20)33(28,29)25-8-11-12(9-25)17(11)24-34(30,31)18(21,22)23/h1-7,11-12,17,24H,8-9H2/t11-,12+,17+
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306017
PNG
(CHEMBL604704 | N-((1R,5S,6s)-3-(4-chloro-2-(2-fluo...)
Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C18H15ClF4N2O6S3/c19-10-5-6-15(16(7-10)32(26,27)14-4-2-1-3-13(14)20)33(28,29)25-8-11-12(9-25)17(11)24-34(30,31)18(21,22)23/h1-7,11-12,17,24H,8-9H2/t11-,12+,17+
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 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