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SMILES: Clc1cnc2nc(N3CCNCC3)n3nc(nc3c2c1)C1CC1

InChI Key: InChIKey=DILJIYOWMILJQS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 294381   

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))	BDBM294381 (US9586959, Compound 39) Show SMILES Clc1cnc2nc(N3CCNCC3)n3nc(nc3c2c1)C1CC1 Show InChI InChI=1S/C15H16ClN7/c16-10-7-11-13(18-8-10)20-15(22-5-3-17-4-6-22)23-14(11)19-12(21-23)9-1-2-9/h7-9,17H,1-6H2	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))	BDBM294381 (US9586959, Compound 39) Show SMILES Clc1cnc2nc(N3CCNCC3)n3nc(nc3c2c1)C1CC1 Show InChI InChI=1S/C15H16ClN7/c16-10-7-11-13(18-8-10)20-15(22-5-3-17-4-6-22)23-14(11)19-12(21-23)9-1-2-9/h7-9,17H,1-6H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	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