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SMILES: CNC1CN(C1)c1nc2ccc(Cl)nc2n2cnnc12

InChI Key: InChIKey=KUVCTILQZQIXQN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 294425   

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))	BDBM294425 (US9586959, Compound 116) Show SMILES CNC1CN(C1)c1nc2ccc(Cl)nc2n2cnnc12 Show InChI InChI=1S/C12H12ClN7/c1-14-7-4-19(5-7)11-12-18-15-6-20(12)10-8(16-11)2-3-9(13)17-10/h2-3,6-7,14H,4-5H2,1H3	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))	BDBM294425 (US9586959, Compound 116) Show SMILES CNC1CN(C1)c1nc2ccc(Cl)nc2n2cnnc12 Show InChI InChI=1S/C12H12ClN7/c1-14-7-4-19(5-7)11-12-18-15-6-20(12)10-8(16-11)2-3-9(13)17-10/h2-3,6-7,14H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	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