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SMILES: CNC1CN(C1)c1nc2ncc(Br)c(C)c2n2cnnc12

InChI Key: InChIKey=FPWNDDCXBCRCQO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 294400   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM294400 (US9586959, Compound 65) Show SMILES CNC1CN(C1)c1nc2ncc(Br)c(C)c2n2cnnc12 Show InChI InChI=1S/C13H14BrN7/c1-7-9(14)3-16-11-10(7)21-6-17-19-13(21)12(18-11)20-4-8(5-20)15-2/h3,6,8,15H,4-5H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	7.4	27
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
Histamine H4 receptor (Homo sapiens (Human))	BDBM294400 (US9586959, Compound 65) Show SMILES CNC1CN(C1)c1nc2ncc(Br)c(C)c2n2cnnc12 Show InChI InChI=1S/C13H14BrN7/c1-7-9(14)3-16-11-10(7)21-6-17-19-13(21)12(18-11)20-4-8(5-20)15-2/h3,6,8,15H,4-5H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	7.5	25
C&C RESEARCH LABORATORIES US Patent					Assay Description In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair