BindingDB PrimarySearch

BDBM78700 2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione dihydrochloride::2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[3-(2-allylphenoxy)-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone;hydrochloride::CHEMBL1083672::MLS000680564::SMR000268752::cid_15945836

SMILES: OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

InChI Key: InChIKey=YRMGKUZRKWDWIE-UHFFFAOYSA-N

Data: 3 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 78700
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 20: 3399-404 (2010) Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay				Bioorg Med Chem Lett 20: 3399-404 (2010) Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay				Bioorg Med Chem Lett 20: 3399-404 (2010) Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW
4SC AG Curated by ChEMBL					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25D8Q92
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM78700 (2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB4462
					More data for this Ligand-Target Pair