Compile Data Set for Download or QSAR

Found 455 hits with Last Name = 'itou' and Initial = 's'   

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
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50178611 (3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...) Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50208747 ((R)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...) Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m1/s1	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50178615 (CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50178615 (CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50208748 ((4-(((S)-3-((dimethylamino)methyl)pyrrolidin-1-yl)...) Show SMILES CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20| Show InChI InChI=1S/C31H35F3N8O/c1-20-4-7-25(13-28(20)40-30-37-10-8-27(39-30)24-14-35-19-36-15-24)38-29(43)22-5-6-23(26(12-22)31(32,33)34)18-42-11-9-21(17-42)16-41(2)3/h4-8,10,12-15,19,21,29,38,43H,9,11,16-18H2,1-3H3,(H,37,39,40)/t21-,29?/m0/s1	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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50178614 (CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50178614 (CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50178612 ((S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...) Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50208747 ((R)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...) Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m1/s1	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50178611 (3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...) Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50178612 ((S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...) Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50208746 ((4-((3-(dimethylamino)azetidin-1-yl)methyl)-3-(tri...) Show SMILES CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18| Show InChI InChI=1S/C29H31F3N8O/c1-18-4-7-22(11-26(18)38-28-35-9-8-25(37-28)21-12-33-17-34-13-21)36-27(41)19-5-6-20(24(10-19)29(30,31)32)14-40-15-23(16-40)39(2)3/h4-13,17,23,27,36,41H,14-16H2,1-3H3,(H,35,37,38)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50208748 ((4-(((S)-3-((dimethylamino)methyl)pyrrolidin-1-yl)...) Show SMILES CN(C)C[C@@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:19.20| Show InChI InChI=1S/C31H35F3N8O/c1-20-4-7-25(13-28(20)40-30-37-10-8-27(39-30)24-14-35-19-36-15-24)38-29(43)22-5-6-23(26(12-22)31(32,33)34)18-42-11-9-21(17-42)16-41(2)3/h4-8,10,12-15,19,21,29,38,43H,9,11,16-18H2,1-3H3,(H,37,39,40)/t21-,29?/m0/s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50178617 (3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...) Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50178617 (3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...) Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50208746 ((4-((3-(dimethylamino)azetidin-1-yl)methyl)-3-(tri...) Show SMILES CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1 |w:17.18| Show InChI InChI=1S/C29H31F3N8O/c1-18-4-7-22(11-26(18)38-28-35-9-8-25(37-28)21-12-33-17-34-13-21)36-27(41)19-5-6-20(24(10-19)29(30,31)32)14-40-15-23(16-40)39(2)3/h4-13,17,23,27,36,41H,14-16H2,1-3H3,(H,35,37,38)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Lyn kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human Abl kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2712-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.002 BindingDB Entry DOI: 10.7270/Q20C4WK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243343 (4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...) Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-3-17-32-25-18-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(2)26(29)22-7-5-4-6-8-22/h4-14,18-19,26,28-29H,3,15-17H2,1-2H3,(H,30,31)/t19-,26-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243342 (4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236183 ((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236185 ((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243392 (4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...) Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/m1/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243225 (4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-18(2)32-26-16-23(13-14-24(26)27(30)31)21-11-9-20(10-12-21)15-19(3)28-17-25(29)22-7-5-4-6-8-22/h4-14,16,18-19,25,28-29H,15,17H2,1-3H3,(H,30,31)/t19-,25+/m1/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243222 (4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...) Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/m1/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236181 ((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...) Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243113 (4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...) Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1	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	3.20E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243112 ((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...) Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r| Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243110 (4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-23-13-19(7-9-21(23)25(30)31)18-5-3-17(4-6-18)11-12-27-15-22(29)20-8-10-24(26)28-14-20/h3-10,13-14,16,22,27,29H,11-12,15H2,1-2H3,(H2,26,28)(H,30,31)/t22-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243390 (4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...) Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C23H24N2O3/c1-16(25-15-22(26)21-3-2-12-24-14-21)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23(27)28/h2-12,14,16,22,25-26H,13,15H2,1H3,(H,27,28)/t16-,22+/m1/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243391 (4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridyl)ethyl]amin...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C26H30N2O4/c1-17(2)32-25-14-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)13-18(3)28-16-24(29)22-5-4-12-27-15-22/h4-12,14-15,17-18,24,28-29H,13,16H2,1-3H3,(H,30,31)/t18-,24+/m1/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243064 ((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243167 (4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...) Show SMILES Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C28H33N3O4/c29-27-13-11-22(17-31-27)25(32)18-30-15-14-19-6-8-20(9-7-19)21-10-12-24(28(33)34)26(16-21)35-23-4-2-1-3-5-23/h6-13,16-17,23,25,30,32H,1-5,14-15,18H2,(H2,29,31)(H,33,34)/t25-/m0/s1	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	1.10E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50249662 (4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r| Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236185 ((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50277503 (3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyle...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H36N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,28,31,33H,3,6-7,10-11,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.830	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243064 ((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50243064 ((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1	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	1.5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50249638 (4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1 |r| Show InChI InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-16-13-24(19-29(27)38-26-5-3-2-4-6-26)22-9-7-21(8-10-22)17-18-32-20-28(34)23-11-14-25(31)15-12-23/h7-16,19,26,28,32,34H,2-6,17-18,20,31H2,1H3,(H,33,35)/t28-/m0/s1	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	0.5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50243112 ((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...) Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r| Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50249637 (4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1 |r| Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-22(10-13-24(26)27(32)30-36(3,33)34)20-6-4-19(5-7-20)14-15-29-17-25(31)21-8-11-23(28)12-9-21/h4-13,16,18,25,29,31H,14-15,17,28H2,1-3H3,(H,30,32)/t25-/m0/s1	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	5.5	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236182 ((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...) Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50277531 (4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...) Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236160 ((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...) Show SMILES CC(C)Nc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1	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	586	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50243112 ((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...) Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r| Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1	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	0.260	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50277534 (3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-pyrid...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1NC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C29H36N4O4S/c1-38(36,37)33-29(35)26-14-13-23(18-27(26)32-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-28(34)24-6-5-16-30-19-24/h5-6,9-14,16,18-19,25,28,31-32,34H,2-4,7-8,15,17,20H2,1H3,(H,33,35)/t28-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50277503 (3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyle...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H36N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,28,31,33H,3,6-7,10-11,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1	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	0.430	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50277529 (4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...) Show SMILES CC(C)Nc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H33N3O4S/c1-19(2)29-25-17-23(13-14-24(25)27(32)30-35(3,33)34)21-11-9-20(10-12-21)15-16-28-18-26(31)22-7-5-4-6-8-22/h4-14,17,19,26,28-29,31H,15-16,18H2,1-3H3,(H,30,32)/t26-/m0/s1	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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50236181 ((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...) Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/m0/s1	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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair

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