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BDBM50354847 CHEMBL1834525

SMILES: FC(F)(F)CCCS(=O)(=O)Oc1cccc2c1oc1c(C#N)c(ccc21)C(F)(F)F

InChI Key: InChIKey=PVCNQMYZXUENKN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50354847   
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))
BDBM50354847
PNG
(CHEMBL1834525)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc2c1oc1c(C#N)c(ccc21)C(F)(F)F
Show InChI InChI=1S/C18H11F6NO4S/c19-17(20,21)7-2-8-30(26,27)29-14-4-1-3-10-11-5-6-13(18(22,23)24)12(9-25)15(11)28-16(10)14/h1,3-6H,2,7-8H2
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Article
PubMed
253n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50354847
PNG
(CHEMBL1834525)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc2c1oc1c(C#N)c(ccc21)C(F)(F)F
Show InChI InChI=1S/C18H11F6NO4S/c19-17(20,21)7-2-8-30(26,27)29-14-4-1-3-10-11-5-6-13(18(22,23)24)12(9-25)15(11)28-16(10)14/h1,3-6H,2,7-8H2
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Article
PubMed
410n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse cannabinoid CB2 receptor


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50354847
PNG
(CHEMBL1834525)
Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc2c1oc1c(C#N)c(ccc21)C(F)(F)F
Show InChI InChI=1S/C18H11F6NO4S/c19-17(20,21)7-2-8-30(26,27)29-14-4-1-3-10-11-5-6-13(18(22,23)24)12(9-25)15(11)28-16(10)14/h1,3-6H,2,7-8H2
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
2.28E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat cannabinoid CB1 receptor


Bioorg Med Chem Lett 21: 5999-6002 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.017
BindingDB Entry DOI: 10.7270/Q26M376D
More data for this
Ligand-Target Pair