Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'niwa-sakai' and Initial = 'm'   

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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265528 (CHEMBL4089669) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 |r| Show InChI InChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50265528 (CHEMBL4089669) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 |r| Show InChI InChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265531 (CHEMBL4105097) Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)30(27,28)25-17-6-4-5-16(11-17)21(26)13-22-9-10-29-18-7-8-19-15(3)23-24-20(19)12-18/h4-8,11-12,14,21-22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265532 (CHEMBL4104183) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1 |r| Show InChI InChI=1S/C21H28N4O4S/c1-3-11-30(27,28)25-17-6-4-5-16(12-17)21(26)14-22-9-10-29-18-7-8-19-15(2)23-24-20(19)13-18/h4-8,12-13,21-22,25-26H,3,9-11,14H2,1-2H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	163	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50108091 (CHEMBL3601307) Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1 |r| Show InChI InChI=1S/C22H28N4O4S/c1-31(28,29)26-17-7-3-6-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-4-2-5-15/h3,6-9,12-13,15,21,23,26-27H,2,4-5,10-11,14H2,1H3,(H,24,25)/t21-/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	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50108099 (CHEMBL3601204) Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t20-/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	857	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50108094 (CHEMBL3601200) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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	219	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265528 (CHEMBL4089669) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 |r| Show InChI InChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265529 (CHEMBL4088750) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCCC4)c3)ccc12 |r| Show InChI InChI=1S/C23H30N4O4S/c1-16-21-10-9-19(14-22(21)26-25-16)31-12-11-24-15-23(28)17-5-4-6-18(13-17)27-32(29,30)20-7-2-3-8-20/h4-6,9-10,13-14,20,23-24,27-28H,2-3,7-8,11-12,15H2,1H3,(H,25,26)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	309	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265541 (CHEMBL4080868) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 |r| Show InChI InChI=1S/C21H26N4O4S/c1-14-19-8-5-17(12-20(19)24-23-14)29-10-9-22-13-21(26)15-3-2-4-16(11-15)25-30(27,28)18-6-7-18/h2-5,8,11-12,18,21-22,25-26H,6-7,9-10,13H2,1H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265531 (CHEMBL4105097) Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)30(27,28)25-17-6-4-5-16(11-17)21(26)13-22-9-10-29-18-7-8-19-15(3)23-24-20(19)12-18/h4-8,11-12,14,21-22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265532 (CHEMBL4104183) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1 |r| Show InChI InChI=1S/C21H28N4O4S/c1-3-11-30(27,28)25-17-6-4-5-16(12-17)21(26)14-22-9-10-29-18-7-8-19-15(2)23-24-20(19)13-18/h4-8,12-13,21-22,25-26H,3,9-11,14H2,1-2H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50108091 (CHEMBL3601307) Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1 |r| Show InChI InChI=1S/C22H28N4O4S/c1-31(28,29)26-17-7-3-6-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-4-2-5-15/h3,6-9,12-13,15,21,23,26-27H,2,4-5,10-11,14H2,1H3,(H,24,25)/t21-/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	66	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50108099 (CHEMBL3601204) Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t20-/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	14	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50108088 (CHEMBL3601305) Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50265528 (CHEMBL4089669) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 |r| Show InChI InChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-1 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50108088 (CHEMBL3601305) Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					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	13	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50156270 (CHEMBL188622 | Methanesulfonic acid 3-(2-{2-hydrox...) Show SMILES CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 Show InChI InChI=1S/C23H25N3O6S3/c1-34(28,29)32-21-8-3-7-19-17(14-25-23(19)21)10-11-24-15-20(27)16-5-2-6-18(13-16)26-35(30,31)22-9-4-12-33-22/h2-9,12-14,20,24-27H,10-11,15H2,1H3/t20-/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	1.70	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265542 (CHEMBL4073098) Show SMILES CCS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCc1c[nH]c2c(OS(C)(=O)=O)cccc12 |r| Show InChI InChI=1S/C21H27N3O6S2/c1-3-32(28,29)24-17-7-4-6-15(12-17)19(25)14-22-11-10-16-13-23-21-18(16)8-5-9-20(21)30-31(2,26)27/h4-9,12-13,19,22-25H,3,10-11,14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1D adrenergic receptor expressed in HEK293 cells after 6 hrs by NFAT-luciferase reporter gene assay				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1B adrenergic receptor expressed in HEK293 cells after 6 hrs by NFAT-luciferase reporter gene assay				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50108088 (CHEMBL3601305) Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50108094 (CHEMBL3601200) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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	21	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265541 (CHEMBL4080868) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 |r| Show InChI InChI=1S/C21H26N4O4S/c1-14-19-8-5-17(12-20(19)24-23-14)29-10-9-22-13-21(26)15-3-2-4-16(11-15)25-30(27,28)18-6-7-18/h2-5,8,11-12,18,21-22,25-26H,6-7,9-10,13H2,1H3,(H,23,24)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50108088 (CHEMBL3601305) Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r| Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Beta-3 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 Reactome pathway KEGG UniProtKB/SwissProt 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	86	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50265530 (CHEMBL4067502) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 |r| Show InChI InChI=1S/C22H28N4O4S/c1-15-20-9-8-18(13-21(20)25-24-15)30-11-10-23-14-22(27)16-4-2-5-17(12-16)26-31(28,29)19-6-3-7-19/h2,4-5,8-9,12-13,19,22-23,26-27H,3,6-7,10-11,14H2,1H3,(H,24,25)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50265529 (CHEMBL4088750) Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCCC4)c3)ccc12 |r| Show InChI InChI=1S/C23H30N4O4S/c1-16-21-10-9-19(14-22(21)26-25-16)31-12-11-24-15-23(28)17-5-4-6-18(13-17)27-32(29,30)20-7-2-3-8-20/h4-6,9-10,13-14,20,23-24,27-28H,2-3,7-8,11-12,15H2,1H3,(H,25,26)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye...				J Med Chem 60: 3252-3265 (2017) Article DOI: 10.1021/acs.jmedchem.6b01197 BindingDB Entry DOI: 10.7270/Q2M61NQX
					More data for this Ligand-Target Pair