BDBM50405734 CHEMBL4170350

SMILES: CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1

InChI Key: InChIKey=DXJXGJCGKXGIHT-YGQSPFECSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50405734   

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))	BDBM50405734 (CHEMBL4170350) Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1 Show InChI InChI=1S/C17H30N7O3S/c1-28(10(4-6-19)3-2-5-18)7-11-13(25)14(26)17(27-11)24-9-23-12-15(20)21-8-22-16(12)24/h8-11,13-14,17,25-26H,2-7,18-19H2,1H3,(H2,20,21,22)/q+1/t10?,11-,13?,14?,17?,28?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		3.42E+3	n/a	n/a	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))	BDBM50405734 (CHEMBL4170350) Show SMILES CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cccnc2)cc1 Show InChI InChI=1S/C17H30N7O3S/c1-28(10(4-6-19)3-2-5-18)7-11-13(25)14(26)17(27-11)24-9-23-12-15(20)21-8-22-16(12)24/h8-11,13-14,17,25-26H,2-7,18-19H2,1H3,(H2,20,21,22)/q+1/t10?,11-,13?,14?,17?,28?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...				Eur J Med Chem 152: 223-234 (2018) Article DOI: 10.1016/j.ejmech.2018.04.043 BindingDB Entry DOI: 10.7270/Q2697632
					More data for this Ligand-Target Pair