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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 = 'BDBM50262792'   
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))
BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.219n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair