Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50032385   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50328335 (4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(O)cc1 Show InChI InChI=1S/C26H28N4O3S/c31-20-6-8-22(9-7-20)33-15-21(32)14-27-19-10-12-30(13-11-19)25-24-23(18-4-2-1-3-5-18)16-34-26(24)29-17-28-25/h1-9,16-17,19,21,27,31-32H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328336 (3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1 Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.620	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328297 (2-hydroxy-5-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C27H28N4O5S/c32-19(14-36-20-6-7-23(33)21(12-20)27(34)35)13-28-18-8-10-31(11-9-18)25-24-22(17-4-2-1-3-5-17)15-37-26(24)30-16-29-25/h1-7,12,15-16,18-19,28,32-33H,8-11,13-14H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328298 (2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...) Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)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/h3-9,14,17-18,21-22,29,33-34H,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	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328329 (1-(4-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccc(F)cc1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-6-8-22(9-7-19)33-15-21(32)14-28-20-10-12-31(13-11-20)25-24-23(18-4-2-1-3-5-18)16-34-26(24)30-17-29-25/h1-9,16-17,20-21,28,32H,10-15H2	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	92	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328337 (1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2	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	18	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328296 (1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1 Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2	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	10	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328326 (1-(3-ethylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...) Show SMILES CCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C28H32N4O2S/c1-2-20-7-6-10-24(15-20)34-17-23(33)16-29-22-11-13-32(14-12-22)27-26-25(21-8-4-3-5-9-21)18-35-28(26)31-19-30-27/h3-10,15,18-19,22-23,29,33H,2,11-14,16-17H2,1H3	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	264	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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))	BDBM50328295 (4-(3-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-...) Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccc(O)cc1 Show InChI InChI=1S/C26H27FN4O3S/c27-18-3-1-17(2-4-18)23-15-35-26-24(23)25(29-16-30-26)31-11-9-19(10-12-31)28-13-21(33)14-34-22-7-5-20(32)6-8-22/h1-8,15-16,19,21,28,32-33H,9-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
4SC AG Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 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