BDBM50386349 CHEMBL2048591

SMILES: OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1

InChI Key: InChIKey=GJPYKVNDRRCAEC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50386349   

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))	BDBM50386349 (CHEMBL2048591) Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50386349 (CHEMBL2048591) Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1 Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting				ACS Med Chem Lett 3: 198-202 (2012) Article DOI: 10.1021/ml200250t BindingDB Entry DOI: 10.7270/Q2736S0M
					More data for this Ligand-Target Pair