BDBM50217113 CHEMBL105952

SMILES: CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1

InChI Key: InChIKey=KNMJAZUTBMPTPA-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50217113   

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 H1 receptor (Homo sapiens (Human))	BDBM50217113 (CHEMBL105952) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-5-17-30-19-10-8-18(9-11-19)20-6-3-4-7-21(20)25(27)28/h3-4,6-11H,2,5,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cortical Histamine 1 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50217113 (CHEMBL105952) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-5-17-30-19-10-8-18(9-11-19)20-6-3-4-7-21(20)25(27)28/h3-4,6-11H,2,5,12-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at rat cortical Histamine 3 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50217113 (CHEMBL105952) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-5-17-30-19-10-8-18(9-11-19)20-6-3-4-7-21(20)25(27)28/h3-4,6-11H,2,5,12-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cortical Histamine 2 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair