Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.5 BDBM247461

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM247461 (US9453023, 20) Show SMILES Fc1cc(ccc1N1CCC2(CCNCC2)C1=O)[C@H]1CC[C@@H](CC1)N1CCCC1 |r,wU:18.20,wD:21.27,(-2.87,2.07,;-2.1,.73,;-.56,.73,;.21,-.6,;-.56,-1.93,;-2.1,-1.93,;-2.87,-.6,;-4.41,-.6,;-4.88,-2.07,;-6.42,-2.07,;-6.9,-.6,;-8.23,-1.37,;-9.57,-.6,;-9.57,.94,;-8.23,1.71,;-6.9,.94,;-5.65,.3,;-5.65,1.84,;1.75,-.6,;2.52,.73,;4.06,.73,;4.83,-.6,;4.06,-1.93,;2.52,-1.93,;6.37,-.6,;7.28,-1.85,;8.74,-1.37,;8.74,.17,;7.28,.64,)| Show InChI InChI=1S/C24H34FN3O/c25-21-17-19(18-3-6-20(7-4-18)27-14-1-2-15-27)5-8-22(21)28-16-11-24(23(28)29)9-12-26-13-10-24/h5,8,17-18,20,26H,1-4,6-7,9-16H2/t18-,20-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...				US Patent US9453023 (2016) BindingDB Entry DOI: 10.7270/Q2XD10MK
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