BDBM50029275 1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride::CHEMBL305029::CHEMBL552830

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1

InChI Key: InChIKey=INRFQTYFEDZXNB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50029275   

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))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101				J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone				J Med Chem 38: 4198-210 (1995) BindingDB Entry DOI: 10.7270/Q2GX4C61
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50029275 (1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 Show InChI InChI=1S/C24H33N3O2S/c1-19(2)29-23-8-4-3-7-22(23)26-15-13-25(14-16-26)17-20-10-11-21(30-20)18-27-12-6-5-9-24(27)28/h3-4,7-8,10-11,19H,5-6,9,12-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	413	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