BDBM50116930 CHEMBL80125::{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-yl}-methanol

SMILES: OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1

InChI Key: InChIKey=NHBSUQDVNVOGGK-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 = 50116930   

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))	BDBM50116930 (CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...) Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.50E+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-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))	BDBM50116930 (CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...) Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.06E+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-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))	BDBM50116930 (CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...) Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1 Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.72E+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