BDBM50116209 1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-azepan-2-one::CHEMBL421297

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1

InChI Key: InChIKey=GNTLDZVFSGMZMM-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 = 50116209   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50116209 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50116209 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50116209 (1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-t...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 Show InChI InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	615	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125I]-HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 12: 2145-8 (2002) BindingDB Entry DOI: 10.7270/Q2DJ5F04
					More data for this Ligand-Target Pair