BDBM50318992 2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione::CHEMBL1086005

SMILES: OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1

InChI Key: InChIKey=XNVACWCCVJPZOD-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50318992   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	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	80	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
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	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
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	409	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 beta3 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
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50318992 (2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...) Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1 Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as 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
					More data for this Ligand-Target Pair