BDBM50116938 1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-piperidin-2-one::CHEMBL81661

SMILES: O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1

InChI Key: InChIKey=YEVKDYPUKCQOFQ-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 = 50116938   

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))	BDBM50116938 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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-1A adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50116938 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	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				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50116938 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.21E+3	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-1B adrenergic receptor				Bioorg Med Chem Lett 12: 2443-6 (2002) BindingDB Entry DOI: 10.7270/Q2FB528D
					More data for this Ligand-Target Pair