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BDBM50419455 CHEMBL1923033

SMILES: N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1

InChI Key: InChIKey=JHLZBMJYTQZERX-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 = 50419455   
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))
BDBM50419455
PNG
(CHEMBL1923033)
Show SMILES N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19|
Show InChI InChI=1S/C21H27N5S/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.62n/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))
BDBM50419455
PNG
(CHEMBL1923033)
Show SMILES N#Cc1ccc(CNC(SCCCc2cnc[nH]2)=NC2CCCCC2)cc1 |w:18.19|
Show InChI InChI=1S/C21H27N5S/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
126n/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