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BDBM50427412 CHEMBL2326298

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

InChI Key: InChIKey=FJCFYPJSQWGLSW-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 = 50427412   
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))
BDBM50427412
PNG
(CHEMBL2326298)
Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H30N2O2S/c1-5-26(6-2)23-15-11-22(12-16-23)19-27(24-13-7-20(3)8-14-24)30(28,29)25-17-9-21(4)10-18-25/h7-18H,5-6,19H2,1-4H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50427412
PNG
(CHEMBL2326298)
Show SMILES CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H30N2O2S/c1-5-26(6-2)23-15-11-22(12-16-23)19-27(24-13-7-20(3)8-14-24)30(28,29)25-17-9-21(4)10-18-25/h7-18H,5-6,19H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
437n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis


J Med Chem 56: 2045-58 (2013)


Article DOI: 10.1021/jm3017464
BindingDB Entry DOI: 10.7270/Q2BK1DPW
More data for this
Ligand-Target Pair