BindingDB logo
myBDB logout

null

SMILES: CCCCSc1nnc2c(n1)[nH]c1ccccc21

InChI Key: InChIKey=JLINGBANGFPKNS-UHFFFAOYSA-N

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 = 40144   
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))
BDBM40144
PNG
(2-Butylsulfanyl-9H-1,3,4,9-tetraaza-fluorene | 3-(...)
Show SMILES CCCCSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C13H14N4S/c1-2-3-8-18-13-15-12-11(16-17-13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3,(H,14,15,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 296n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...


Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40144
PNG
(2-Butylsulfanyl-9H-1,3,4,9-tetraaza-fluorene | 3-(...)
Show SMILES CCCCSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C13H14N4S/c1-2-3-8-18-13-15-12-11(16-17-13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3,(H,14,15,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair