BDBM50328282 1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol::CHEMBL1258599

SMILES: OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1

InChI Key: InChIKey=LKDUKYSSAMAXEU-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 = 50328282   

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))	BDBM50328282 (1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50328282 (1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 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))	BDBM50328282 (1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328282 (1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2	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	2.80	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