BDBM50328299 3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol::CHEMBL1257676

SMILES: CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12

InChI Key: InChIKey=NVFFYNVUDNEFQT-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 = 50328299   

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))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	236	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))	BDBM50328299 (3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12 Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20	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