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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM22884'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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Article
PubMed
67n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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Article
PubMed
67n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to the human histamine H3 receptor


J Med Chem 46: 3957-60 (2003)


Article DOI: 10.1021/jm0341047
BindingDB Entry DOI: 10.7270/Q2QJ7J1C
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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Article
PubMed
158n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)


Article DOI: 10.1124/jpet.105.087965
BindingDB Entry DOI: 10.7270/Q2KD1W6V
More data for this
Ligand-Target Pair