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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 = 'BDBM50384402'   
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))
BDBM50384402
PNG
(CHEMBL2031471)
Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O |r|
Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
4.20n/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 cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384402
PNG
(CHEMBL2031471)
Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O |r|
Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/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 cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair