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SMILES: CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12

InChI Key: InChIKey=FISUSZKGPGNBNT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50156871   

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 H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50156871 (3-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-...) Show SMILES CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C25H30N2O3/c1-2-30-15-14-27-18-23(22-8-3-4-9-24(22)27)20-10-12-26(13-11-20)17-19-6-5-7-21(16-19)25(28)29/h3-9,16,18,20H,2,10-15,17H2,1H3,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibitory concentration against histamine-H1 receptor				Bioorg Med Chem Lett 15: 1165-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.008 BindingDB Entry DOI: 10.7270/Q2HX1C5R
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50156871 (3-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-...) Show SMILES CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C25H30N2O3/c1-2-30-15-14-27-18-23(22-8-3-4-9-24(22)27)20-10-12-26(13-11-20)17-19-6-5-7-21(16-19)25(28)29/h3-9,16,18,20H,2,10-15,17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes				J Med Chem 47: 6326-37 (2004) Article DOI: 10.1021/jm0498203 BindingDB Entry DOI: 10.7270/Q2HM57XC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50156871 (3-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperidin-...) Show SMILES CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C25H30N2O3/c1-2-30-15-14-27-18-23(22-8-3-4-9-24(22)27)20-10-12-26(13-11-20)17-19-6-5-7-21(16-19)25(28)29/h3-9,16,18,20H,2,10-15,17H2,1H3,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes				J Med Chem 47: 6326-37 (2004) Article DOI: 10.1021/jm0498203 BindingDB Entry DOI: 10.7270/Q2HM57XC
					More data for this Ligand-Target Pair