BDBM50116931 1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-azepan-2-one::CHEMBL79817

SMILES: O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1

InChI Key: InChIKey=ZJEHREFWDSGYHV-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 = 50116931   

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))	BDBM50116931 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	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))	BDBM50116931 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	285	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))	BDBM50116931 (1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...) Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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