Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50049004   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232755 (CHEMBL4076830) Show SMILES Cc1cc(O)c(CN2CCCC2)c2O\C(=C\c3ccco3)C(=O)c12 Show InChI InChI=1S/C19H19NO4/c1-12-9-15(21)14(11-20-6-2-3-7-20)19-17(12)18(22)16(24-19)10-13-5-4-8-23-13/h4-5,8-10,21H,2-3,6-7,11H2,1H3/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232772 (CHEMBL1625333) Show SMILES COCCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-19-13-11-18-12-14-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232765 (CHEMBL4099306) Show SMILES CCOC(=O)C1Oc2cccc(OCC(O)CNC(C)C)c2C1C Show InChI InChI=1S/C18H27NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11-13,17,19-20H,5,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50347780 (CHEMBL1626224) Show SMILES CC(O)CNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232764 (CHEMBL4062049) Show SMILES CCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C16H19NO/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232763 (CHEMBL193627 | GNF-Pf-1442) Show SMILES CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c12 |c:17| Show InChI InChI=1S/C21H21N2S/c1-4-23-17(13-12-16-9-7-8-15(2)21(16)23)14-20-22(3)18-10-5-6-11-19(18)24-20/h5-14H,4H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232756 (CHEMBL1623548) Show SMILES CN(C)CCOCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C18H23NO2/c1-19(2)12-13-20-14-15-21-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232757 (CHEMBL4092412) Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.0355	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232758 (CHEMBL4071616) Show SMILES CN(C)CCOc1ccc2ccccc2c1C=O Show InChI InChI=1S/C15H17NO2/c1-16(2)9-10-18-15-8-7-12-5-3-4-6-13(12)14(15)11-17/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232759 (CHEMBL4067230) Show SMILES C[n+]1c(\C=C\Nc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C16H14N2S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13/h2-12H,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232760 (CHEMBL4104850) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN(C)C)c1 Show InChI InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232761 (CHEMBL4097144) Show SMILES Cc1cc(O)c(CN2CCCC2)c2O\C(=C/c3cc4ccccc4o3)C(=O)c12 Show InChI InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232754 (CHEMBL4079127) Show SMILES CCOC(=O)c1cc(\C=C\c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 Show InChI InChI=1S/C23H19N2O2S2/c1-3-27-23(26)18-14-15(22-25(18)17-9-5-7-11-20(17)29-22)12-13-21-24(2)16-8-4-6-10-19(16)28-21/h4-14H,3H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232762 (CHEMBL4089434) Show SMILES C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12 Show InChI InChI=1S/C16H13ClNS/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17/h2-11H,1H3/q+1/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232761 (CHEMBL4097144) Show SMILES Cc1cc(O)c(CN2CCCC2)c2O\C(=C/c3cc4ccccc4o3)C(=O)c12 Show InChI InChI=1S/C23H21NO4/c1-14-10-18(25)17(13-24-8-4-5-9-24)23-21(14)22(26)20(28-23)12-16-11-15-6-2-3-7-19(15)27-16/h2-3,6-7,10-12,25H,4-5,8-9,13H2,1H3/b20-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232750 (CHEMBL4106281) Show SMILES C[NH+](C)Cc1c2O\C(=C/c3ccccc3)C(=O)c2c(C)cc1O Show InChI InChI=1S/C19H19NO3/c1-12-9-15(21)14(11-20(2)3)19-17(12)18(22)16(23-19)10-13-7-5-4-6-8-13/h4-10,21H,11H2,1-3H3/p+1/b16-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232759 (CHEMBL4067230) Show SMILES C[n+]1c(\C=C\Nc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C16H14N2S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13/h2-12H,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.57E+5	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232758 (CHEMBL4071616) Show SMILES CN(C)CCOc1ccc2ccccc2c1C=O Show InChI InChI=1S/C15H17NO2/c1-16(2)9-10-18-15-8-7-12-5-3-4-6-13(12)14(15)11-17/h3-8,11H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.77E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232757 (CHEMBL4092412) Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.977	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232756 (CHEMBL1623548) Show SMILES CN(C)CCOCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C18H23NO2/c1-19(2)12-13-20-14-15-21-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.57E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232766 (Berlafenone) Show SMILES CC(C)(C)NCC(O)COc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM27960 ((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...) Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.245	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232753 (CHEMBL4106289) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3C[NH+]2CCCC2)c1 Show InChI InChI=1S/C22H23NO4/c1-14-10-18(24)17(13-23-8-3-4-9-23)22-20(14)21(25)19(27-22)12-15-6-5-7-16(11-15)26-2/h5-7,10-12,24H,3-4,8-9,13H2,1-2H3/p+1/b19-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232757 (CHEMBL4092412) Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.0182	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Partial agonist activity at human beta2-AR expressed in CHOK1 cells assessed as inhibition of cimaterol-induced CRE-SPAP production after 5 hrs				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232762 (CHEMBL4089434) Show SMILES C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12 Show InChI InChI=1S/C16H13ClNS/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17/h2-11H,1H3/q+1/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232767 (CHEMBL1621144) Show SMILES C=CCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H19NO/c1-2-12-18-13-14-19-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h2-11,18H,1,12-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232751 (CHEMBL4094678) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN2CCN(C)CC2)c1 Show InChI InChI=1S/C23H26N2O4/c1-15-11-19(26)18(14-25-9-7-24(2)8-10-25)23-21(15)22(27)20(29-23)13-16-5-4-6-17(12-16)28-3/h4-6,11-13,26H,7-10,14H2,1-3H3/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232768 (CHEMBL4068256) Show SMILES CCCCN(C)Cc1c2O\C(=C/c3cc4cc(Br)ccc4o3)C(=O)c2c(C)cc1O Show InChI InChI=1S/C24H24BrNO4/c1-4-5-8-26(3)13-18-19(27)9-14(2)22-23(28)21(30-24(18)22)12-17-11-15-10-16(25)6-7-20(15)29-17/h6-7,9-12,27H,4-5,8,13H2,1-3H3/b21-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232760 (CHEMBL4104850) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN(C)C)c1 Show InChI InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232754 (CHEMBL4079127) Show SMILES CCOC(=O)c1cc(\C=C\c2sc3ccccc3[n+]2C)c2sc3ccccc3n12 Show InChI InChI=1S/C23H19N2O2S2/c1-3-27-23(26)18-14-15(22-25(18)17-9-5-7-11-20(17)29-22)12-13-21-24(2)16-8-4-6-10-19(16)28-21/h4-14H,3H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.09E+3	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232753 (CHEMBL4106289) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3C[NH+]2CCCC2)c1 Show InChI InChI=1S/C22H23NO4/c1-14-10-18(24)17(13-23-8-3-4-9-23)22-20(14)21(25)19(27-22)12-15-6-5-7-16(11-15)26-2/h5-7,10-12,24H,3-4,8-9,13H2,1-2H3/p+1/b19-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM27960 ((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...) Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232751 (CHEMBL4094678) Show SMILES COc1cccc(\C=C2/Oc3c(C2=O)c(C)cc(O)c3CN2CCN(C)CC2)c1 Show InChI InChI=1S/C23H26N2O4/c1-15-11-19(26)18(14-25-9-7-24(2)8-10-25)23-21(15)22(27)20(29-23)13-16-5-4-6-17(12-16)28-3/h4-6,11-13,26H,7-10,14H2,1-3H3/b20-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50232767 (CHEMBL1621144) Show SMILES C=CCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H19NO/c1-2-12-18-13-14-19-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h2-11,18H,1,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232750 (CHEMBL4106281) Show SMILES C[NH+](C)Cc1c2O\C(=C/c3ccccc3)C(=O)c2c(C)cc1O Show InChI InChI=1S/C19H19NO3/c1-12-9-15(21)14(11-20(2)3)19-17(12)18(22)16(23-19)10-13-7-5-4-6-8-13/h4-10,21H,11H2,1-3H3/p+1/b16-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair