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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 = 'BDBM50079582'   
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))
BDBM50079582
PNG
(CHEMBL3417582)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15|
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1
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Article
PubMed
7n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079582
PNG
(CHEMBL3417582)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1 |r,t:15|
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair