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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM26399'   
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 H4 receptor


(Rattus norvegicus (rat))
BDBM26399
PNG
(14-fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1
Show InChI InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.45 -50.4n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26399
PNG
(14-fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1
Show InChI InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10 -47.3n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair