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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50325055'   
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))
BDBM50325055
PNG
((1R,5S)-3-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophe...)
Show SMILES Fc1ccc(cc1)C(N1C[C@@H]2CC[C@H](C1)N2C1CCC1)c1nnnn1Cc1ccccc1 |r,THB:16:15:8.9.14:11.12|
Show InChI InChI=1S/C25H29FN6/c26-20-11-9-19(10-12-20)24(25-27-28-29-31(25)15-18-5-2-1-3-6-18)30-16-22-13-14-23(17-30)32(22)21-7-4-8-21/h1-3,5-6,9-12,21-24H,4,7-8,13-17H2/t22-,23+,24?
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PC cid
PC sid
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Article
PubMed
n/an/a 516n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair