BDBM50119707 4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-carboxylic acid ethyl ester::4-[3-(4-Pentanoyl-phenoxy)-propyl]-piperazine-1-carboxylic acid butyl ester::A-923::CHEMBL62803

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

InChI Key: InChIKey=RLVMZEQCHVFJEJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50119707   

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))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	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 rat histamine H3 receptor on rat cortical cells				Bioorg Med Chem Lett 14: 673-6 (2004) BindingDB Entry DOI: 10.7270/Q2H994MH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	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 H3 receptor (Rattus norvegicus (rat))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	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 of the compound towards rats Histamine type 3 (H3) receptor				Bioorg Med Chem Lett 12: 3055-8 (2002) BindingDB Entry DOI: 10.7270/Q2B56J3P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat cortical histamine H3 receptor				J Med Chem 54: 26-53 (2011) Article DOI: 10.1021/jm100064d BindingDB Entry DOI: 10.7270/Q2VQ33RV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	275	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))	BDBM50119707 (4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...) Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1 Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.26E+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