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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50538676'   
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))		BDBM50538676
PNG
(CHEMBL4636487)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C25H31N4/c1-20-16-23(9-6-5-8-22-11-13-25(14-12-22)28(3)4)17-21(2)29(20)15-7-10-24-18-26-19-27-24/h5-6,8-9,11-14,16-19H,7,10,15H2,1-4H3,(H,26,27)/q+1
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 12n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes

J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair