BDBM50328332 1-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)-3-(3-(trifluoromethoxy)phenoxy)propan-2-ol::CHEMBL1258142

SMILES: OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1

InChI Key: InChIKey=YCMOYOHTIKWGSW-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 = 50328332   

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))	BDBM50328332 (1-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H27F3N4O3S/c28-27(29,30)37-22-8-4-7-21(13-22)36-15-20(35)14-31-19-9-11-34(12-10-19)25-24-23(18-5-2-1-3-6-18)16-38-26(24)33-17-32-25/h1-8,13,16-17,19-20,31,35H,9-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	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))	BDBM50328332 (1-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H27F3N4O3S/c28-27(29,30)37-22-8-4-7-21(13-22)36-15-20(35)14-31-19-9-11-34(12-10-19)25-24-23(18-5-2-1-3-6-18)16-38-26(24)33-17-32-25/h1-8,13,16-17,19-20,31,35H,9-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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))	BDBM50328332 (1-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H27F3N4O3S/c28-27(29,30)37-22-8-4-7-21(13-22)36-15-20(35)14-31-19-9-11-34(12-10-19)25-24-23(18-5-2-1-3-6-18)16-38-26(24)33-17-32-25/h1-8,13,16-17,19-20,31,35H,9-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	996	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))	BDBM50328332 (1-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidi...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H27F3N4O3S/c28-27(29,30)37-22-8-4-7-21(13-22)36-15-20(35)14-31-19-9-11-34(12-10-19)25-24-23(18-5-2-1-3-6-18)16-38-26(24)33-17-32-25/h1-8,13,16-17,19-20,31,35H,9-12,14-15H2	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	113	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