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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 = 'BDBM50385249'   
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))
BDBM50385249
PNG
(CHEMBL2037607)
Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50385249
PNG
(CHEMBL2037607)
Show SMILES C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
131n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
More data for this
Ligand-Target Pair