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SMILES: CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12

InChI Key: InChIKey=ICGICUHMULRYIQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 294407   

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 H4 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	35	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
Histamine H4 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	44	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 H3 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 (Mus musculus (mouse))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
C&C RESEARCH LABORATORIES US Patent					Assay Description The binding assays of the human serotonin 3 receptor for present invention were performed at Cerep (Poitiers, France).				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair