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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 = 'BDBM50158598'   
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))
BDBM50158598
PNG
(CHEMBL178950 | Cyclopropyl-(4-{2-[2-((R)-2-methyl-...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50158598
PNG
(CHEMBL178950 | Cyclopropyl-(4-{2-[2-((R)-2-methyl-...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
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PC sid
UniChem

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Article
PubMed
1.36n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair