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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 = 'BDBM50364961'   
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))
BDBM50364961
PNG
(CHEMBL1950734)
Show SMILES Cc1cc(=O)[nH]nc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-13-19(24)21-22-20(14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,21,24)
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PC cid
PC sid
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Similars

Article
PubMed
4.40n/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 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50364961
PNG
(CHEMBL1950734)
Show SMILES Cc1cc(=O)[nH]nc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-14-13-19(24)21-22-20(14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,21,24)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.30n/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 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair