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BDBM50428192 CHEMBL2336562

SMILES: CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=AMOGWGAQMCOLMW-UHFFFAOYSA-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 = 50428192   
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))
BDBM50428192
PNG
(CHEMBL2336562)
Show SMILES CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H27FN2O2S/c1-3-26(4-2)23-14-10-21(11-15-23)19-27(18-20-8-6-5-7-9-20)30(28,29)24-16-12-22(25)13-17-24/h5-17H,3-4,18-19H2,1-2H3
PDB

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PC cid
PC sid
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Similars

Article
PubMed
102n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50428192
PNG
(CHEMBL2336562)
Show SMILES CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H27FN2O2S/c1-3-26(4-2)23-14-10-21(11-15-23)19-27(18-20-8-6-5-7-9-20)30(28,29)24-16-12-22(25)13-17-24/h5-17H,3-4,18-19H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
930n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis


ACS Med Chem Lett 4: 387-392 (2013)


Article DOI: 10.1021/ml3004236
BindingDB Entry DOI: 10.7270/Q2MP54MQ
More data for this
Ligand-Target Pair