Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50030670   

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))	BDBM50299896 (3-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-...) Show SMILES CC(C)(Cc1cccc(c1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H24N2O6/c1-21(2,9-12-4-3-5-13(8-12)20(27)28)22-10-16(25)14-6-7-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299906 (4-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1 Show InChI InChI=1S/C21H29NO3/c1-4-15-5-7-16(8-6-15)12-21(2,3)22-13-20(25)17-9-10-19(24)18(11-17)14-23/h5-11,20,22-25H,4,12-14H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299907 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(3,5-difluorop...) Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2F2N2O/c1-18(2,8-10-3-12(21)7-13(22)4-10)24-9-16(25)11-5-14(19)17(23)15(20)6-11/h3-7,16,24-25H,8-9,23H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299901 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-...) Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299906 (4-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)c2)cc1 Show InChI InChI=1S/C21H29NO3/c1-4-15-5-7-16(8-6-15)12-21(2,3)22-13-20(25)17-9-10-19(24)18(11-17)14-23/h5-11,20,22-25H,4,12-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299892 (4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-...) Show SMILES CC(C)(Cc1ccc(cc1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H24N2O6/c1-21(2,9-12-3-5-13(6-4-12)20(27)28)22-10-16(25)14-7-8-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299909 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(4-isopropylph...) Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 Show InChI InChI=1S/C21H28Cl2N2O/c1-13(2)15-7-5-14(6-8-15)11-21(3,4)25-12-19(26)16-9-17(22)20(24)18(23)10-16/h5-10,13,19,25-26H,11-12,24H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299905 (4-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phe...) Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C20H24F3NO3/c1-19(2,10-13-4-3-5-16(8-13)20(21,22)23)24-11-18(27)14-6-7-17(26)15(9-14)12-25/h3-9,18,24-27H,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299893 (8-(2-(1-(3,5-difluorophenyl)-2-methylpropan-2-ylam...) Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H22F2N2O4/c1-20(2,8-11-5-12(21)7-13(22)6-11)23-9-16(26)14-3-4-15(25)18-19(14)28-10-17(27)24-18/h3-7,16,23,25-26H,8-10H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299899 (4-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)...) Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C19H25NO3/c1-19(2,11-14-6-4-3-5-7-14)20-12-18(23)15-8-9-17(22)16(10-15)13-21/h3-10,18,20-23H,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299898 (5-hydroxy-8-(1-hydroxy-2-(1-(4-isopropylphenyl)-2-...) Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C23H30N2O4/c1-14(2)16-7-5-15(6-8-16)11-23(3,4)24-12-19(27)17-9-10-18(26)21-22(17)29-13-20(28)25-21/h5-10,14,19,24,26-27H,11-13H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299904 (4-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino...) Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C20H27NO3/c1-14-6-4-5-7-16(14)11-20(2,3)21-12-19(24)15-8-9-18(23)17(10-15)13-22/h4-10,19,21-24H,11-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299894 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...) Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-13(6-4-12)31-21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299903 (8-(2-(1-(biphenyl-4-yl)-2-methylpropan-2-ylamino)-...) Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-22(30)20-12-13-21(29)24-25(20)32-16-23(31)28-24/h3-13,22,27,29-30H,14-16H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299902 (8-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-18(26)16-9-10-17(25)20-21(16)28-13-19(27)24-20/h5-10,18,23,25-26H,4,11-13H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299897 (8-(2-(1-(4-tert-butylphenyl)-2-methylpropan-2-ylam...) Show SMILES CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-19(28)17-10-11-18(27)21-22(17)30-14-20(29)26-21/h6-11,19,25,27-28H,12-14H2,1-5H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299900 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...) Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299891 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...) Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-3-5-13(6-4-12)21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299895 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoro...) Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(8-12)21(22,23)24)25-10-16(28)14-6-7-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299890 (5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...) Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299908 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(4-ethylphenyl...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 Show InChI InChI=1S/C20H26Cl2N2O/c1-4-13-5-7-14(8-6-13)11-20(2,3)24-12-18(25)15-9-16(21)19(23)17(22)10-15/h5-10,18,24-25H,4,11-12,23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299891 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...) Show SMILES CC(C)(Cc1ccc(cc1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-3-5-13(6-4-12)21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	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	3.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299894 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(4-(trifluoro...) Show SMILES CC(C)(Cc1ccc(OC(F)(F)F)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O5/c1-20(2,9-12-3-5-13(6-4-12)31-21(22,23)24)25-10-16(28)14-7-8-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	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	3.60	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299893 (8-(2-(1-(3,5-difluorophenyl)-2-methylpropan-2-ylam...) Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H22F2N2O4/c1-20(2,8-11-5-12(21)7-13(22)6-11)23-9-16(26)14-3-4-15(25)18-19(14)28-10-17(27)24-18/h3-7,16,23,25-26H,8-10H2,1-2H3,(H,24,27)	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	7.20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299895 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoro...) Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(8-12)21(22,23)24)25-10-16(28)14-6-7-15(27)18-19(14)30-11-17(29)26-18/h3-8,16,25,27-28H,9-11H2,1-2H3,(H,26,29)	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	3.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299889 (5-hydroxy-8-(1-hydroxy-2-(3-methyl-1-o-tolylpropan...) Show SMILES Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)c1 Show InChI InChI=1S/C21H26N2O4/c1-13-5-4-6-14(9-13)10-21(2,3)22-11-17(25)15-7-8-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)	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	5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299898 (5-hydroxy-8-(1-hydroxy-2-(1-(4-isopropylphenyl)-2-...) Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C23H30N2O4/c1-14(2)16-7-5-15(6-8-16)11-23(3,4)24-12-19(27)17-9-10-18(26)21-22(17)29-13-20(28)25-21/h5-10,14,19,24,26-27H,11-13H2,1-4H3,(H,25,28)	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	6.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299892 (4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-...) Show SMILES CC(C)(Cc1ccc(cc1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H24N2O6/c1-21(2,9-12-3-5-13(6-4-12)20(27)28)22-10-16(25)14-7-8-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)	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	33	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299897 (8-(2-(1-(4-tert-butylphenyl)-2-methylpropan-2-ylam...) Show SMILES CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-19(28)17-10-11-18(27)21-22(17)30-14-20(29)26-21/h6-11,19,25,27-28H,12-14H2,1-5H3,(H,26,29)	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	27	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50151720 (ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...) Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299896 (3-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-...) Show SMILES CC(C)(Cc1cccc(c1)C(O)=O)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H24N2O6/c1-21(2,9-12-4-3-5-13(8-12)20(27)28)22-10-16(25)14-6-7-15(24)18-19(14)29-11-17(26)23-18/h3-8,16,22,24-25H,9-11H2,1-2H3,(H,23,26)(H,27,28)	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	253	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299900 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...) Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299901 (5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-...) Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)	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	0.800	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299890 (5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...) Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)	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	0.900	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299903 (8-(2-(1-(biphenyl-4-yl)-2-methylpropan-2-ylamino)-...) Show SMILES CC(C)(Cc1ccc(cc1)-c1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C26H28N2O4/c1-26(2,14-17-8-10-19(11-9-17)18-6-4-3-5-7-18)27-15-22(30)20-12-13-21(29)24-25(20)32-16-23(31)28-24/h3-13,22,27,29-30H,14-16H2,1-2H3,(H,28,31)	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	5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299902 (8-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-18(26)16-9-10-17(25)20-21(16)28-13-19(27)24-20/h5-10,18,23,25-26H,4,11-13H2,1-3H3,(H,24,27)	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	5.60	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299904 (4-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino...) Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C20H27NO3/c1-14-6-4-5-7-16(14)11-20(2,3)21-12-19(24)15-8-9-18(23)17(10-15)13-22/h4-10,19,21-24H,11-13H2,1-3H3	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	294	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299907 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(3,5-difluorop...) Show SMILES CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2F2N2O/c1-18(2,8-10-3-12(21)7-13(22)4-10)24-9-16(25)11-5-14(19)17(23)15(20)6-11/h3-7,16,24-25H,8-9,23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	645	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299908 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(4-ethylphenyl...) Show SMILES CCc1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 Show InChI InChI=1S/C20H26Cl2N2O/c1-4-13-5-7-14(8-6-13)11-20(2,3)24-12-18(25)15-9-16(21)19(23)17(22)10-15/h5-10,18,24-25H,4,11-12,23H2,1-3H3	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	695	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299909 (1-(4-amino-3,5-dichlorophenyl)-2-(1-(4-isopropylph...) Show SMILES CC(C)c1ccc(CC(C)(C)NCC(O)c2cc(Cl)c(N)c(Cl)c2)cc1 Show InChI InChI=1S/C21H28Cl2N2O/c1-13(2)15-7-5-14(6-8-15)11-21(3,4)25-12-19(26)16-9-17(22)20(24)18(23)10-16/h5-10,13,19,25-26H,11-12,24H2,1-4H3	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	1.00E+3	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299905 (4-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phe...) Show SMILES CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C20H24F3NO3/c1-19(2,10-13-4-3-5-16(8-13)20(21,22)23)24-11-18(27)14-6-7-17(26)15(9-14)12-25/h3-9,18,24-27H,10-12H2,1-2H3	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	1.87E+3	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50299899 (4-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)...) Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C19H25NO3/c1-19(2,11-14-6-4-3-5-7-14)20-12-18(23)15-8-9-17(22)16(10-15)13-21/h3-10,18,20-23H,11-13H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50299889 (5-hydroxy-8-(1-hydroxy-2-(3-methyl-1-o-tolylpropan...) Show SMILES Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)c1 Show InChI InChI=1S/C21H26N2O4/c1-13-5-4-6-14(9-13)10-21(2,3)22-11-17(25)15-7-8-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation				Bioorg Med Chem Lett 19: 6640-4 (2009) Article DOI: 10.1016/j.bmcl.2009.10.013 BindingDB Entry DOI: 10.7270/Q29W0FJX
					More data for this Ligand-Target Pair