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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50360979'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50360979
PNG
(CHEMBL1935424)
Show SMILES O=S1(=O)CCC(C1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H29NO4S/c23-27(24)13-7-19(15-27)25-18-4-5-20-16(14-18)6-8-21(26-20)9-11-22(12-10-21)17-2-1-3-17/h4-5,14,17,19H,1-3,6-13,15H2
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PC sid
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Article
PubMed
23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360979
PNG
(CHEMBL1935424)
Show SMILES O=S1(=O)CCC(C1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Show InChI InChI=1S/C21H29NO4S/c23-27(24)13-7-19(15-27)25-18-4-5-20-16(14-18)6-8-21(26-20)9-11-22(12-10-21)17-2-1-3-17/h4-5,14,17,19H,1-3,6-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair