Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50030778   

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))	BDBM50301249 (4-(2-(dimethylamino)acetamido)-N-(4-(2-(2-hydroxy-...) Show SMILES CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C28H39N5O6/c1-28(2,30-15-22(35)20-11-12-21(34)26-27(20)39-17-25(38)32-26)14-18-7-9-19(10-8-18)31-23(36)6-5-13-29-24(37)16-33(3)4/h7-12,22,30,34-35H,5-6,13-17H2,1-4H3,(H,29,37)(H,31,36)(H,32,38)	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 beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301256 (CHEMBL570834 | N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...) Show SMILES CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1 Show InChI InChI=1S/C31H44N6O6/c1-31(2,33-18-25(39)23-10-11-24(38)29-30(23)43-20-28(42)35-29)17-21-6-8-22(9-7-21)34-26(40)5-4-12-32-27(41)19-37-15-13-36(3)14-16-37/h6-11,25,33,38-39H,4-5,12-20H2,1-3H3,(H,32,41)(H,34,40)(H,35,42)	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	5.70	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301256 (CHEMBL570834 | N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...) Show SMILES CN1CCN(CC(=O)NCCCC(=O)Nc2ccc(CC(C)(C)NCC(O)c3ccc(O)c4NC(=O)COc34)cc2)CC1 Show InChI InChI=1S/C31H44N6O6/c1-31(2,33-18-25(39)23-10-11-24(38)29-30(23)43-20-28(42)35-29)17-21-6-8-22(9-7-21)34-26(40)5-4-12-32-27(41)19-37-15-13-36(3)14-16-37/h6-11,25,33,38-39H,4-5,12-20H2,1-3H3,(H,32,41)(H,34,40)(H,35,42)	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	1.20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301247 (2-(4-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12 Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-24(36)22-13-21(35)14-23-28(22)40-18-27(39)33-23)15-19-8-10-20(11-9-19)32-25(37)7-6-12-30-26(38)17-34(3,4)5/h8-11,13-14,24,31,36H,6-7,12,15-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1	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	12	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301246 (4-guanidino-N-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-...) Show SMILES [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1cc(-[#8])cc2-[#7]-[#6](=O)-[#6]-[#8]-c12 Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-21(34)4-3-9-28-24(26)27)29-13-20(33)18-10-17(32)11-19-23(18)36-14-22(35)31-19/h5-8,10-11,20,29,32-33H,3-4,9,12-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)	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	4.10	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301248 (4-amino-N-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-3,4-...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12 Show InChI InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-21(31)4-3-9-25)26-13-20(30)18-10-17(29)11-19-23(18)33-14-22(32)28-19/h5-8,10-11,20,26,29-30H,3-4,9,12-14,25H2,1-2H3,(H,27,31)(H,28,32)	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	9	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301255 (2-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-23(36)21-12-13-22(35)27-28(21)40-18-26(39)33-27)15-19-8-10-20(11-9-19)32-24(37)7-6-14-30-25(38)17-34(3,4)5/h8-13,23,31,36H,6-7,14-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1	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	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					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 beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301245 (2,5-diamino-N-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C29H42N6O6/c1-29(2,33-16-23(37)20-11-12-22(36)26-27(20)41-17-25(39)35-26)15-18-7-9-19(10-8-18)34-24(38)6-4-14-32-28(40)21(31)5-3-13-30/h7-12,21,23,33,36-37H,3-6,13-17,30-31H2,1-2H3,(H,32,40)(H,34,38)(H,35,39)	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	5.40	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301250 (3-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNCCCS(O)(=O)=O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C27H38N4O8S/c1-27(2,29-16-22(33)20-10-11-21(32)25-26(20)39-17-24(35)31-25)15-18-6-8-19(9-7-18)30-23(34)5-3-12-28-13-4-14-40(36,37)38/h6-11,22,28-29,32-33H,3-5,12-17H2,1-2H3,(H,30,34)(H,31,35)(H,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301252 (4-amino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-20(31)4-3-11-25)26-13-19(30)17-9-10-18(29)22-23(17)33-14-21(32)28-22/h5-10,19,26,29-30H,3-4,11-14,25H2,1-2H3,(H,27,31)(H,28,32)	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	1.10	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301254 (4-(2-aminoacetamido)-N-(4-(2-(2-hydroxy-2-(5-hydro...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C26H35N5O6/c1-26(2,29-14-20(33)18-9-10-19(32)24-25(18)37-15-23(36)31-24)12-16-5-7-17(8-6-16)30-21(34)4-3-11-28-22(35)13-27/h5-10,20,29,32-33H,3-4,11-15,27H2,1-2H3,(H,28,35)(H,30,34)(H,31,36)	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	1.20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301253 (4-guanidino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-...) Show SMILES [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1ccc(-[#8])c2-[#7]-[#6](=O)-[#6]-[#8]-c12 Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-20(34)4-3-11-28-24(26)27)29-13-19(33)17-9-10-18(32)22-23(17)36-14-21(35)31-22/h5-10,19,29,32-33H,3-4,11-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)	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	1	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					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 beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301245 (2,5-diamino-N-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-o...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C(N)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C29H42N6O6/c1-29(2,33-16-23(37)20-11-12-22(36)26-27(20)41-17-25(39)35-26)15-18-7-9-19(10-8-18)34-24(38)6-4-14-32-28(40)21(31)5-3-13-30/h7-12,21,23,33,36-37H,3-6,13-17,30-31H2,1-2H3,(H,32,40)(H,34,38)(H,35,39)	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	24	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301246 (4-guanidino-N-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-...) Show SMILES [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1cc(-[#8])cc2-[#7]-[#6](=O)-[#6]-[#8]-c12 Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-21(34)4-3-9-28-24(26)27)29-13-20(33)18-10-17(32)11-19-23(18)36-14-22(35)31-19/h5-8,10-11,20,29,32-33H,3-4,9,12-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)	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	18	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301247 (2-(4-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12 Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-24(36)22-13-21(35)14-23-28(22)40-18-27(39)33-23)15-19-8-10-20(11-9-19)32-25(37)7-6-12-30-26(38)17-34(3,4)5/h8-11,13-14,24,31,36H,6-7,12,15-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1	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	28	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301248 (4-amino-N-(4-(2-(2-hydroxy-2-(6-hydroxy-3-oxo-3,4-...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1cc(O)cc2NC(=O)COc12 Show InChI InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-21(31)4-3-9-25)26-13-20(30)18-10-17(29)11-19-23(18)33-14-22(32)28-19/h5-8,10-11,20,26,29-30H,3-4,9,12-14,25H2,1-2H3,(H,27,31)(H,28,32)	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	11	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301249 (4-(2-(dimethylamino)acetamido)-N-(4-(2-(2-hydroxy-...) Show SMILES CN(C)CC(=O)NCCCC(=O)Nc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1 Show InChI InChI=1S/C28H39N5O6/c1-28(2,30-15-22(35)20-11-12-21(34)26-27(20)39-17-25(38)32-26)14-18-7-9-19(10-8-18)31-23(36)6-5-13-29-24(37)16-33(3)4/h7-12,22,30,34-35H,5-6,13-17H2,1-4H3,(H,29,37)(H,31,36)(H,32,38)	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	5.30	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301250 (3-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNCCCS(O)(=O)=O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C27H38N4O8S/c1-27(2,29-16-22(33)20-10-11-21(32)25-26(20)39-17-24(35)31-25)15-18-6-8-19(9-7-18)30-23(34)5-3-12-28-13-4-14-40(36,37)38/h6-11,22,28-29,32-33H,3-5,12-17H2,1-2H3,(H,30,34)(H,31,35)(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301251 (4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C27H37N5O6/c1-27(2,30-15-21(34)19-9-10-20(33)25-26(19)38-16-24(37)32-25)14-17-5-7-18(8-6-17)31-23(36)4-3-13-29-22(35)11-12-28/h5-10,21,30,33-34H,3-4,11-16,28H2,1-2H3,(H,29,35)(H,31,36)(H,32,37)	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	4.60	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301252 (4-amino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C24H32N4O5/c1-24(2,12-15-5-7-16(8-6-15)27-20(31)4-3-11-25)26-13-19(30)17-9-10-18(29)22-23(17)33-14-21(32)28-22/h5-10,19,26,29-30H,3-4,11-14,25H2,1-2H3,(H,27,31)(H,28,32)	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	3.40	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301253 (4-guanidino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-...) Show SMILES [#6]C([#6])([#6]-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)[#7]-[#6]-[#6](-[#8])-c1ccc(-[#8])c2-[#7]-[#6](=O)-[#6]-[#8]-c12 Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-20(34)4-3-11-28-24(26)27)29-13-19(33)17-9-10-18(32)22-23(17)36-14-21(35)31-22/h5-10,19,29,32-33H,3-4,11-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)	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	1.80	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301255 (2-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)C[N+](C)(C)C)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C29H41N5O6/c1-29(2,31-16-23(36)21-12-13-22(35)27-28(21)40-18-26(39)33-27)15-19-8-10-20(11-9-19)32-24(37)7-6-14-30-25(38)17-34(3,4)5/h8-13,23,31,36H,6-7,14-18H2,1-5H3,(H3-,30,32,33,35,37,38,39)/p+1	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	3.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50301254 (4-(2-aminoacetamido)-N-(4-(2-(2-hydroxy-2-(5-hydro...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C26H35N5O6/c1-26(2,29-14-20(33)18-9-10-19(32)24-25(18)37-15-23(36)31-24)12-16-5-7-17(8-6-16)30-21(34)4-3-11-28-22(35)13-27/h5-10,20,29,32-33H,3-4,11-15,27H2,1-2H3,(H,28,35)(H,30,34)(H,31,36)	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	4.5	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50301251 (4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hyd...) Show SMILES CC(C)(Cc1ccc(NC(=O)CCCNC(=O)CCN)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12 Show InChI InChI=1S/C27H37N5O6/c1-27(2,30-15-21(34)19-9-10-20(33)25-26(19)38-16-24(37)32-25)14-17-5-7-18(8-6-17)31-23(36)4-3-13-29-22(35)11-12-28/h5-10,21,30,33-34H,3-4,11-16,28H2,1-2H3,(H,29,35)(H,31,36)(H,32,37)	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	0.900	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level				Bioorg Med Chem Lett 19: 5237-40 (2009) Article DOI: 10.1016/j.bmcl.2009.06.104 BindingDB Entry DOI: 10.7270/Q2PN95Q8
					More data for this Ligand-Target Pair