Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'tanabe' and Initial = 'd'   

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
Cathepsin B (Bos taurus (bovine))	BDBM16499 ((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16500 ((2S)-2-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O |r| Show InChI InChI=1S/C18H30N2O7/c1-6-9(4)11(15(21)20-12(17(23)24)10(5)7-2)19-16(22)13-14(27-13)18(25)26-8-3/h9-14H,6-8H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10?,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16502 ((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxi...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H29N3O6/c1-3-13(2)16(21(28)25-11-7-10-15(25)22(29)30)24-20(27)18-17(31-18)19(26)23-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-18H,3,7,10-12H2,1-2H3,(H,23,26)(H,24,27)(H,29,30)/t13-,15-,16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16509 ((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r| Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16510 ((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...) Show SMILES CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r| Show InChI InChI=1S/C15H26N2O5/c1-8(2)5-6-16-13(18)10(7-9(3)4)17-14(19)11-12(22-11)15(20)21/h8-12H,5-7H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16508 ((2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C17H26N2O7/c1-4-9(3)11(15(21)19-8-6-7-10(19)16(22)23)18-14(20)12-13(26-12)17(24)25-5-2/h9-13H,4-8H2,1-3H3,(H,18,20)(H,22,23)/t9-,10-,11-,12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Bos taurus (bovine))	BDBM16501 ((2S)-2-[(2S,3R)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxir...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O |r| Show InChI InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7?,8-,9+,10+,11+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16504 (CA inhibitor 7 | CA073 | PrNH-tES-Ile-Pro-OBzl | b...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCCC |r| Show InChI InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16506 ((2S)-1-(2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C13H18N2O7/c1-2-21-13(20)10-9(22-10)11(17)14-6-8(16)15-5-3-4-7(15)12(18)19/h7,9-10H,2-6H2,1H3,(H,14,17)(H,18,19)/t7-,9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin B (Bos taurus (bovine))	BDBM16497 ((2S,3S)-2-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C12H19NO6/c1-4-6(3)7(11(15)16)13-10(14)8-9(19-8)12(17)18-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16505 (BzlNH-tES-Ile-Pro-OBzl | CA inhibitor 8 | CA077 | ...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H35N3O6/c1-3-19(2)23(31-27(34)25-24(38-25)26(33)30-17-20-11-6-4-7-12-20)28(35)32-16-10-15-22(32)29(36)37-18-21-13-8-5-9-14-21/h4-9,11-14,19,22-25H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16503 (CA inhibitor 6 | CA074Me | PrNH-tES-Ile-Pro-OMe | ...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)NCCC |r| Show InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Bos taurus (bovine))	BDBM16511 ((2S)-1-[(2S)-2-{[(2S,3S)-3-{[(1S)-1-({[(2-methoxy-...) Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)OC |r| Show InChI InChI=1S/C26H41N5O10/c1-13(2)9-15(22(34)28-11-18(32)27-12-19(33)40-5)29-23(35)20-21(41-20)24(36)30-16(10-14(3)4)25(37)31-8-6-7-17(31)26(38)39/h13-17,20-21H,6-12H2,1-5H3,(H,27,32)(H,28,34)(H,29,35)(H,30,36)(H,38,39)/t15-,16-,17-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	6.0	40
Osaka University of Pharmaceutical Sciences					Assay Description Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluor...				J Mol Biol 362: 979-93 (2006) Article DOI: 10.1016/j.jmb.2006.07.070 BindingDB Entry DOI: 10.7270/Q2DF6PGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50296967 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-hy...) Show SMILES C[C@H](NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1)[C@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-21(30(35)24-12-15-26(34)16-13-24)32-19-18-22-8-10-23(11-9-22)25-14-17-28(31(36)33-40(2,37)38)29(20-25)39-27-6-4-3-5-7-27/h8-17,20-21,27,30,32,34-35H,3-7,18-19H2,1-2H3,(H,33,36)/t21-,30-/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 adrenergic beta2 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					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	0.840	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50296957 (4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/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 adrenergic beta2 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296958 (4'-((R)-2-((R)-2-hydroxy-2-phenylethylamino)propyl...) Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H36N2O4S/c1-20(2)16-26-18-25(14-15-27(26)29(33)31-36(4,34)35)23-12-10-22(11-13-23)17-21(3)30-19-28(32)24-8-6-5-7-9-24/h5-15,18,20-21,28,30,32H,16-17,19H2,1-4H3,(H,31,33)/t21-,28+/m1/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	0.100	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296959 (3-(cyclohexyloxy)-4'-((S)-3-hydroxy-2-((R)-2-hydro...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(C[C@@H](CO)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-40(37,38)33-31(36)28-17-16-25(19-30(28)39-27-10-6-3-7-11-27)23-14-12-22(13-15-23)18-26(21-34)32-20-29(35)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,19,26-27,29,32,34-35H,3,6-7,10-11,18,20-21H2,1H3,(H,33,36)/t26-,29-/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	0.820	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296960 ((R)-4'-(2-(2-(6-acetamidopyridin-3-yl)-2-hydroxyet...) Show SMILES CC(=O)Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C31H38N4O6S/c1-21(36)34-30-15-13-25(19-33-30)28(37)20-32-17-16-22-8-10-23(11-9-22)24-12-14-27(31(38)35-42(2,39)40)29(18-24)41-26-6-4-3-5-7-26/h8-15,18-19,26,28,32,37H,3-7,16-17,20H2,1-2H3,(H,35,38)(H,33,34,36)/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	0.230	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296961 ((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-21(11-12-24(26)27(32)30-36(3,33)34)20-9-7-19(8-10-20)13-14-29-17-25(31)22-5-4-6-23(28)15-22/h4-12,15-16,18,25,29,31H,13-14,17,28H2,1-3H3,(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	6	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296962 ((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-15-14-23(19-29(27)38-26-8-3-2-4-9-26)22-12-10-21(11-13-22)16-17-32-20-28(34)24-6-5-7-25(31)18-24/h5-7,10-15,18-19,26,28,32,34H,2-4,8-9,16-17,20,31H2,1H3,(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	1.20	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					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 adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					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 adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296965 ((R)-4'-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfona...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 |r| Show InChI InChI=1S/C28H35N3O8S2/c1-18(2)39-27-16-21(9-11-23(27)28(34)31-41(4,37)38)20-7-5-19(6-8-20)13-14-29-17-26(33)22-10-12-25(32)24(15-22)30-40(3,35)36/h5-12,15-16,18,26,29-30,32-33H,13-14,17H2,1-4H3,(H,31,34)/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 adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296966 (4'-(2-((1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2cccc(O)c2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-22(12-13-25(26)28(33)30-37(4,34)35)21-10-8-20(9-11-21)14-15-29-19(3)27(32)23-6-5-7-24(31)16-23/h5-13,16-19,27,29,31-32H,14-15H2,1-4H3,(H,30,33)/t19-,27-/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	0.0440	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296957 (4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/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	0.160	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296967 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-hy...) Show SMILES C[C@H](NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1)[C@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-21(30(35)24-12-15-26(34)16-13-24)32-19-18-22-8-10-23(11-9-22)25-14-17-28(31(36)33-40(2,37)38)29(20-25)39-27-6-4-3-5-7-27/h8-17,20-21,27,30,32,34-35H,3-7,18-19H2,1-2H3,(H,33,36)/t21-,30-/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	0.350	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50296968 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-me...) Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](C)NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C32H40N2O6S/c1-22(31(35)25-13-16-27(39-2)17-14-25)33-20-19-23-9-11-24(12-10-23)26-15-18-29(32(36)34-41(3,37)38)30(21-26)40-28-7-5-4-6-8-28/h9-18,21-22,28,31,33,35H,4-8,19-20H2,1-3H3,(H,34,36)/t22-,31-/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	28	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					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	2	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296958 (4'-((R)-2-((R)-2-hydroxy-2-phenylethylamino)propyl...) Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H36N2O4S/c1-20(2)16-26-18-25(14-15-27(26)29(33)31-36(4,34)35)23-12-10-22(11-13-23)17-21(3)30-19-28(32)24-8-6-5-7-9-24/h5-15,18,20-21,28,30,32H,16-17,19H2,1-4H3,(H,31,33)/t21-,28+/m1/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	73	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296959 (3-(cyclohexyloxy)-4'-((S)-3-hydroxy-2-((R)-2-hydro...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(C[C@@H](CO)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-40(37,38)33-31(36)28-17-16-25(19-30(28)39-27-10-6-3-7-11-27)23-14-12-22(13-15-23)18-26(21-34)32-20-29(35)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,19,26-27,29,32,34-35H,3,6-7,10-11,18,20-21H2,1H3,(H,33,36)/t26-,29-/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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296960 ((R)-4'-(2-(2-(6-acetamidopyridin-3-yl)-2-hydroxyet...) Show SMILES CC(=O)Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C31H38N4O6S/c1-21(36)34-30-15-13-25(19-33-30)28(37)20-32-17-16-22-8-10-23(11-9-22)24-12-14-27(31(38)35-42(2,39)40)29(18-24)41-26-6-4-3-5-7-26/h8-15,18-19,26,28,32,37H,3-7,16-17,20H2,1-2H3,(H,35,38)(H,33,34,36)/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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296961 ((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-21(11-12-24(26)27(32)30-36(3,33)34)20-9-7-19(8-10-20)13-14-29-17-25(31)22-5-4-6-23(28)15-22/h4-12,15-16,18,25,29,31H,13-14,17,28H2,1-3H3,(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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296962 ((R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)e...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1 |r| Show InChI InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-15-14-23(19-29(27)38-26-8-3-2-4-9-26)22-12-10-21(11-13-22)16-17-32-20-28(34)24-6-5-7-25(31)18-24/h5-7,10-15,18-19,26,28,32,34H,2-4,8-9,16-17,20,31H2,1H3,(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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 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	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296965 ((R)-4'-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfona...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 |r| Show InChI InChI=1S/C28H35N3O8S2/c1-18(2)39-27-16-21(9-11-23(27)28(34)31-41(4,37)38)20-7-5-19(6-8-20)13-14-29-17-26(33)22-10-12-25(32)24(15-22)30-40(3,35)36/h5-12,15-16,18,26,29-30,32-33H,13-14,17H2,1-4H3,(H,31,34)/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	150	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296966 (4'-(2-((1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2cccc(O)c2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-22(12-13-25(26)28(33)30-37(4,34)35)21-10-8-20(9-11-21)14-15-29-19(3)27(32)23-6-5-7-24(31)16-23/h5-13,16-19,27,29,31-32H,14-15H2,1-4H3,(H,30,33)/t19-,27-/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	130	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296957 (4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/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	290	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296967 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-hy...) Show SMILES C[C@H](NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1)[C@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C31H38N2O6S/c1-21(30(35)24-12-15-26(34)16-13-24)32-19-18-22-8-10-23(11-9-22)25-14-17-28(31(36)33-40(2,37)38)29(20-25)39-27-6-4-3-5-7-27/h8-17,20-21,27,30,32,34-35H,3-7,18-19H2,1-2H3,(H,33,36)/t21-,30-/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	110	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50296968 (3-(cyclohexyloxy)-4'-(2-((1R,2S)-1-hydroxy-1-(4-me...) Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](C)NCCc1ccc(cc1)-c1ccc(C(=O)NS(C)(=O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C32H40N2O6S/c1-22(31(35)25-13-16-27(39-2)17-14-25)33-20-19-23-9-11-24(12-10-23)26-15-18-29(32(36)34-41(3,37)38)30(21-26)40-28-7-5-4-6-8-28/h9-18,21-22,28,31,33,35H,4-8,19-20H2,1-3H3,(H,34,36)/t22-,31-/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+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme im...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Canis familiaris)	BDBM50296957 (4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...) Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 |r| Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/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	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at dog recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme immun...				Bioorg Med Chem Lett 19: 4679-83 (2009) Article DOI: 10.1016/j.bmcl.2009.06.083 BindingDB Entry DOI: 10.7270/Q2S183DR
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM392659 (US10301286, Example 11) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1ccc(C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H39ClFN3O3/c1-19-6-8-21(9-7-19)14-27(29(37)38)33-12-13-35(20(2)16-33)28(36)25-18-34(30(3,4)5)17-24(25)23-11-10-22(31)15-26(23)32/h6-11,15,20,24-25,27H,12-14,16-18H2,1-5H3,(H,37,38)/t20-,24-,25+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM392659 (US10301286, Example 11) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1ccc(C)cc1)C(O)=O |r| Show InChI InChI=1S/C30H39ClFN3O3/c1-19-6-8-21(9-7-19)14-27(29(37)38)33-12-13-35(20(2)16-33)28(36)25-18-34(30(3,4)5)17-24(25)23-11-10-22(31)15-26(23)32/h6-11,15,20,24-25,27H,12-14,16-18H2,1-5H3,(H,37,38)/t20-,24-,25+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM392660 (US10301286, Example 76) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.960	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM392660 (US10301286, Example 76) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM392660 (US10301286, Example 76) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM392661 (US10301286, Example 87) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM392661 (US10301286, Example 87) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM392661 (US10301286, Example 87) Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r| Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
GSK					Assay Description Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...				Bioorg Med Chem Lett 19: 1332-6 (2009) BindingDB Entry DOI: 10.7270/Q2833VCJ
					More data for this Ligand-Target Pair

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