BDBM50220103 CHEMBL431172

SMILES: CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1

InChI Key: InChIKey=PPWTZQUEISGLGF-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 = 50220103   

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))	BDBM50220103 (CHEMBL431172) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H32N2O4S/c1-3-4-5-7-20(23)18-8-10-19(11-9-18)26-17-6-12-21-13-15-22(16-14-21)27(2,24)25/h8-11H,3-7,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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))	BDBM50220103 (CHEMBL431172) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H32N2O4S/c1-3-4-5-7-20(23)18-8-10-19(11-9-18)26-17-6-12-21-13-15-22(16-14-21)27(2,24)25/h8-11H,3-7,12-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.63E+4	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))	BDBM50220103 (CHEMBL431172) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H32N2O4S/c1-3-4-5-7-20(23)18-8-10-19(11-9-18)26-17-6-12-21-13-15-22(16-14-21)27(2,24)25/h8-11H,3-7,12-17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.32E+4	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