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BDBM50364090 CHEMBL1950837

SMILES: CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CCCC(F)(F)F

InChI Key: InChIKey=LFAUVYPVNHRQIG-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364090   
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))
BDBM50364090
PNG
(CHEMBL1950837)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3S/c1-21(2,3)20-26-18-13-17(32(30,31)12-4-9-22(23,24)25)5-6-19(18)28(20)14-16-7-10-27(15-29)11-8-16/h5-6,13,15-16H,4,7-12,14H2,1-3H3
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Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
BindingDB Entry DOI: 10.7270/Q2JW8FBF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50364090
PNG
(CHEMBL1950837)
Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCN(CC1)C=O)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3S/c1-21(2,3)20-26-18-13-17(32(30,31)12-4-9-22(23,24)25)5-6-19(18)28(20)14-16-7-10-27(15-29)11-8-16/h5-6,13,15-16H,4,7-12,14H2,1-3H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.62E+3n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
BindingDB Entry DOI: 10.7270/Q2JW8FBF
More data for this
Ligand-Target Pair