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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 = 'BDBM50358573'   
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))
BDBM50358573
PNG
(CHEMBL1923734)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H27FN2O2/c1-19-4-2-15-27(19)16-3-17-30-24-12-5-20(6-13-24)21-7-14-25(29)28(18-21)23-10-8-22(26)9-11-23/h5-14,18-19H,2-4,15-17H2,1H3/t19-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358573
PNG
(CHEMBL1923734)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H27FN2O2/c1-19-4-2-15-27(19)16-3-17-30-24-12-5-20(6-13-24)21-7-14-25(29)28(18-21)23-10-8-22(26)9-11-23/h5-14,18-19H,2-4,15-17H2,1H3/t19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair