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SMILES: CNC1CN(C1)C1=Nc2ncc(Br)cc2N2C[C@@H](C)N=C12

InChI Key: InChIKey=DQUOZUDHUFQVSI-MRVPVSSYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 294471   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))		BDBM294471
PNG
(US9586959, Compound 106)
Show SMILES CNC1CN(C1)C1=Nc2ncc(Br)cc2N2C[C@@H](C)N=C12 |r,t:7,21|
Show InChI InChI=1S/C14H17BrN6/c1-8-5-21-11-3-9(15)4-17-12(11)19-13(14(21)18-8)20-6-10(7-20)16-2/h3-4,8,10,16H,5-7H2,1-2H3/t8-/m1/s1
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US Patent
n/an/a>1.00E+8n/an/an/an/a7.427



C&C RESEARCH LABORATORIES

US Patent


Assay Description
Each compound of the present invention prepared in the examples was prepared in DMSO into concentrations of 0.02, 0.06, 0.3 and 2 mM. 10 uL of the pr...

US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair