BDBM50328334 1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol::CHEMBL1258023

SMILES: COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12

InChI Key: InChIKey=SOHSSKABZVMGBU-UHFFFAOYSA-N

Data: 3 KI  1 IC50  2 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 6 hits for monomerid = 50328334   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	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 beta-1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.60	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	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 CHO cells				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50328334 (1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Antagonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP ...				Bioorg Med Chem Lett 20: 6108-15 (2010) Article DOI: 10.1016/j.bmcl.2010.08.039 BindingDB Entry DOI: 10.7270/Q2WM1DNR
					More data for this Ligand-Target Pair