BDBM50220393 CHEMBL60360

SMILES: CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1

InChI Key: InChIKey=RURVOBDSGULLAW-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 = 50220393   

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 (Rattus norvegicus (rat))	BDBM50220393 (CHEMBL60360) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 Show InChI InChI=1S/C23H33N3O2S/c1-2-3-4-6-22(27)20-7-9-21(10-8-20)28-17-5-12-25-13-15-26(16-14-25)19-23-24-11-18-29-23/h7-11,18H,2-6,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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 for the rat cortical Histamine H3 receptor				Bioorg Med Chem Lett 12: 2031-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6G21
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50220393 (CHEMBL60360) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 Show InChI InChI=1S/C23H33N3O2S/c1-2-3-4-6-22(27)20-7-9-21(10-8-20)28-17-5-12-25-13-15-26(16-14-25)19-23-24-11-18-29-23/h7-11,18H,2-6,12-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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 for the human Histamine H1 Receptor				Bioorg Med Chem Lett 12: 2031-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6G21
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50220393 (CHEMBL60360) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 Show InChI InChI=1S/C23H33N3O2S/c1-2-3-4-6-22(27)20-7-9-21(10-8-20)28-17-5-12-25-13-15-26(16-14-25)19-23-24-11-18-29-23/h7-11,18H,2-6,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.08E+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 for the human Histamine H2 receptor				Bioorg Med Chem Lett 12: 2031-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6G21
					More data for this Ligand-Target Pair