new BindingDB logo
myBDB logout

BDBM50419456 CHEMBL1923034

SMILES: [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1

InChI Key: InChIKey=KTSPNBFUARCTGI-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 = 50419456   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50419456
PNG
(CHEMBL1923034)
Show SMILES [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20|
Show InChI InChI=1S/C20H27N5O2S/c26-25(27)19-10-8-16(9-11-19)13-22-20(24-17-5-2-1-3-6-17)28-12-4-7-18-14-21-15-23-18/h8-11,14-15,17H,1-7,12-13H2,(H,21,23)(H,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.15n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419456
PNG
(CHEMBL1923034)
Show SMILES [O-][N+](=O)c1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:19.20|
Show InChI InChI=1S/C20H27N5O2S/c26-25(27)19-10-8-16(9-11-19)13-22-20(24-17-5-2-1-3-6-17)28-12-4-7-18-14-21-15-23-18/h8-11,14-15,17H,1-7,12-13H2,(H,21,23)(H,22,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
135n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8136-47 (2011)


Article DOI: 10.1021/jm201042n
BindingDB Entry DOI: 10.7270/Q2MW2JDX
More data for this
Ligand-Target Pair