Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'bertinaria' 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
Caspase-1 (Homo sapiens (Human))	BDBM50033886 (CHEMBL2047937 | Ethyl 2-((2-Chlorophenyl)(Hydroxy)...) Show SMILES CCOC(=O)C(=C)C(O)c1ccccc1Cl Show InChI InChI=1S/C12H13ClO3/c1-3-16-12(15)8(2)11(14)9-6-4-5-7-10(9)13/h4-7,11,14H,2-3H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...				J Med Chem 57: 10366-82 (2014) Article DOI: 10.1021/jm501072b BindingDB Entry DOI: 10.7270/Q29P337T
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50433441 (PARTHENOLIDE) Show SMILES C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...				J Med Chem 57: 10366-82 (2014) Article DOI: 10.1021/jm501072b BindingDB Entry DOI: 10.7270/Q29P337T
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156303 (2-(3-benzenesulfonylfuroxan-4-yloxymethyl)-2,5,7,8...) Show SMILES Cc1c(C)c2OC(C)(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCc2c(C)c1O Show InChI InChI=1S/C22H24N2O7S/c1-13-14(2)19-17(15(3)18(13)25)10-11-22(4,30-19)12-29-20-21(24(26)31-23-20)32(27,28)16-8-6-5-7-9-16/h5-9,25H,10-12H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156308 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...) Show SMILES CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C25H32N2O6S/c1-24(2,3)19-15-17(16-20(21(19)28)25(4,5)6)11-10-14-32-22-23(27(29)33-26-22)34(30,31)18-12-8-7-9-13-18/h7-9,12-13,15-16,28H,10-11,14H2,1-6H3	KEGG UniProtKB/SwissProt 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
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156305 (2,5,7,8-Tetramethyl-2-(3-nitrooxy-propoxymethyl)-c...) Show SMILES Cc1c(C)c2OC(C)(COCCCO[N+]([O-])=O)CCc2c(C)c1O Show InChI InChI=1S/C17H25NO6/c1-11-12(2)16-14(13(3)15(11)19)6-7-17(4,24-16)10-22-8-5-9-23-18(20)21/h19H,5-10H2,1-4H3	KEGG UniProtKB/SwissProt 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
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186604 (4-((N-(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl...) Show SMILES CN(CCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1no[n+]([O-])c1C(N)=O Show InChI InChI=1S/C22H34N4O4/c1-21(2,3)15-11-14(12-16(19(15)27)22(4,5)6)9-8-10-25(7)13-17-18(20(23)28)26(29)30-24-17/h11-12,27H,8-10,13H2,1-7H3,(H2,23,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156306 (1-nitrooxy-propane | CHEMBL188554) Show SMILES CCCO[N+]([O-])=O Show InChI InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186605 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...) Show SMILES COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O Show InChI InChI=1S/C19H20N2O8S/c1-26-15-11-13(12-16(27-2)17(15)22)7-6-10-28-18-19(21(23)29-20-18)30(24,25)14-8-4-3-5-9-14/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186606 (3-(4-hydroxyphenyl)prop-1,2-diyl dinitrate | CHEMB...) Show SMILES Oc1ccc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C9H10N2O6/c12-9-3-1-7(2-4-9)5-8(10(13)14)6-17-11(15)16/h1-4,8,12H,5-6H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156304 (3-benzenesulfonyl-4-ethoxy-furazan 2-oxide | 4-eth...) Show SMILES CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C10H10N2O5S/c1-2-16-9-10(12(13)17-11-9)18(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156309 (2,6-Di-tert-butyl-4-(3-nitrooxy-propyl)-phenol | 3...) Show SMILES CC(C)(C)c1cc(CCCO[N+]([O-])=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C17H27NO4/c1-16(2,3)13-10-12(8-7-9-22-18(20)21)11-14(15(13)19)17(4,5)6/h10-11,19H,7-9H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156308 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...) Show SMILES CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C25H32N2O6S/c1-24(2,3)19-15-17(16-20(21(19)28)25(4,5)6)11-10-14-32-22-23(27(29)33-26-22)34(30,31)18-12-8-7-9-13-18/h7-9,12-13,15-16,28H,10-11,14H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156303 (2-(3-benzenesulfonylfuroxan-4-yloxymethyl)-2,5,7,8...) Show SMILES Cc1c(C)c2OC(C)(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCc2c(C)c1O Show InChI InChI=1S/C22H24N2O7S/c1-13-14(2)19-17(15(3)18(13)25)10-11-22(4,30-19)12-29-20-21(24(26)31-23-20)32(27,28)16-8-6-5-7-9-16/h5-9,25H,10-12H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186603 (4-((N-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)...) Show SMILES CN(Cc1no[n+]([O-])c1C(N)=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 Show InChI InChI=1S/C19H26N4O5/c1-10-11(2)17-13(12(3)16(10)24)6-7-19(4,27-17)9-22(5)8-14-15(18(20)25)23(26)28-21-14/h24H,6-9H2,1-5H3,(H2,20,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186607 (4-dimethylaminomethyl-2-oxy-furazan-3-carboxylic a...) Show SMILES CN(C)Cc1no[n+]([O-])c1C(N)=O Show InChI InChI=1S/C6H10N4O3/c1-9(2)3-4-5(6(7)11)10(12)13-8-4/h3H2,1-2H3,(H2,7,11)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186608 (3-((4-hydroxy-3,5-dimethoxy)phenyl)prop-1,2-diyl d...) Show SMILES COc1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C11H14N2O8/c1-19-9-4-7(5-10(20-2)11(9)14)3-8(12(15)16)6-21-13(17)18/h4-5,8,14H,3,6H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186603 (4-((N-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)...) Show SMILES CN(Cc1no[n+]([O-])c1C(N)=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 Show InChI InChI=1S/C19H26N4O5/c1-10-11(2)17-13(12(3)16(10)24)6-7-19(4,27-17)9-22(5)8-14-15(18(20)25)23(26)28-21-14/h24H,6-9H2,1-5H3,(H2,20,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186605 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...) Show SMILES COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O Show InChI InChI=1S/C19H20N2O8S/c1-26-15-11-13(12-16(27-2)17(15)22)7-6-10-28-18-19(21(23)29-20-18)30(24,25)14-8-4-3-5-9-14/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186611 (3-(4-hydroxy-3,5-dimethoxyphenyl)propyl nitrate | ...) Show SMILES COc1cc(CCCO[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C11H15NO6/c1-16-9-6-8(4-3-5-18-12(14)15)7-10(17-2)11(9)13/h6-7,13H,3-5H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186608 (3-((4-hydroxy-3,5-dimethoxy)phenyl)prop-1,2-diyl d...) Show SMILES COc1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C11H14N2O8/c1-19-9-4-7(5-10(20-2)11(9)14)3-8(12(15)16)6-21-13(17)18/h4-5,8,14H,3,6H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156310 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)phen...) Show SMILES Oc1ccc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O6S/c20-14-10-8-13(9-11-14)5-4-12-24-16-17(19(21)25-18-16)26(22,23)15-6-2-1-3-7-15/h1-3,6-11,20H,4-5,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186606 (3-(4-hydroxyphenyl)prop-1,2-diyl dinitrate | CHEMB...) Show SMILES Oc1ccc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C9H10N2O6/c12-9-3-1-7(2-4-9)5-8(10(13)14)6-17-11(15)16/h1-4,8,12H,5-6H2	KEGG UniProtKB/SwissProt 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
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186612 (1,2-bis-nitrooxy-propane | CHEMBL206527) Show SMILES CC(CO[N+]([O-])=O)O[N+]([O-])=O Show InChI InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156310 (4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)phen...) Show SMILES Oc1ccc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O6S/c20-14-10-8-13(9-11-14)5-4-12-24-16-17(19(21)25-18-16)26(22,23)15-6-2-1-3-7-15/h1-3,6-11,20H,4-5,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186613 (4-hydroxymethyl-2-oxy-furazan-3-carboxylic acid am...) Show SMILES NC(=O)c1c(CO)no[n+]1[O-] Show InChI InChI=1S/C4H5N3O4/c5-4(9)3-2(1-8)6-11-7(3)10/h8H,1H2,(H2,5,9)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156305 (2,5,7,8-Tetramethyl-2-(3-nitrooxy-propoxymethyl)-c...) Show SMILES Cc1c(C)c2OC(C)(COCCCO[N+]([O-])=O)CCc2c(C)c1O Show InChI InChI=1S/C17H25NO6/c1-11-12(2)16-14(13(3)15(11)19)6-7-17(4,24-16)10-22-8-5-9-23-18(20)21/h19H,5-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50156307 (3-(4-hydroxyphenyl)propyl nitrate | 4-(3-Nitrooxy-...) Show SMILES Oc1ccc(CCCO[N+]([O-])=O)cc1 Show InChI InChI=1S/C9H11NO4/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h3-6,11H,1-2,7H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186604 (4-((N-(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl...) Show SMILES CN(CCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1no[n+]([O-])c1C(N)=O Show InChI InChI=1S/C22H34N4O4/c1-21(2,3)15-11-14(12-16(19(15)27)22(4,5)6)9-8-10-25(7)13-17-18(20(23)28)26(29)30-24-17/h11-12,27H,8-10,13H2,1-7H3,(H2,23,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50186610 (3-((4-hydroxy-3,5-di-tert-butyl)phenyl)prop-1,2-di...) Show SMILES CC(C)(C)c1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C17H26N2O6/c1-16(2,3)13-8-11(9-14(15(13)20)17(4,5)6)7-12(18(21)22)10-25-19(23)24/h8-9,12,20H,7,10H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips				J Med Chem 49: 2886-97 (2006) Article DOI: 10.1021/jm0510530 BindingDB Entry DOI: 10.7270/Q2ZC82G7
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50156304 (3-benzenesulfonyl-4-ethoxy-furazan 2-oxide | 4-eth...) Show SMILES CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C10H10N2O5S/c1-2-16-9-10(12(13)17-11-9)18(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221768 (CHEMBL537445 | rac-(2S)-N-[(2R)-2-(3,5-dihydroxyph...) Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,12.13| Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221770 (4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethyla...) Show SMILES CC(Cc1ccc(OCc2nonc2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,21.23| Show InChI InChI=1S/C21H24N4O6/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)30-11-18-20(21(22)29)25-31-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50186613 (4-hydroxymethyl-2-oxy-furazan-3-carboxylic acid am...) Show SMILES NC(=O)c1c(CO)no[n+]1[O-] Show InChI InChI=1S/C4H5N3O4/c5-4(9)3-2(1-8)6-11-7(3)10/h8H,1H2,(H2,5,9)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50221772 (5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...) Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30| Show InChI InChI=1S/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221772 (5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...) Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30| Show InChI InChI=1S/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50221772 (5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...) Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30| Show InChI InChI=1S/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contraction in rat thoracic aorta in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50131281 (5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...) Show SMILES CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in prese...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221773 (4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethyla...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,22.24| Show InChI InChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221772 (5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...) Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30| Show InChI InChI=1S/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in prese...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221773 (4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethyla...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,22.24| Show InChI InChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in prese...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221771 (5-(1-hydroxy-2-(1-(4-((4-methyl-1,2,5-oxadiazol-3-...) Show SMILES CC(Cc1ccc(OCc2nonc2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,19.21| Show InChI InChI=1S/C21H25N3O5/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)28-12-20-14(2)23-29-24-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221772 (5-(2-{2-[4-(4-benzenesulfonyl-5-oxy-furazan-3-ylox...) Show SMILES CC(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,27.30| Show InChI InChI=1S/C25H25N3O8S/c1-16(26-15-23(31)18-12-19(29)14-20(30)13-18)11-17-7-9-21(10-8-17)35-24-25(28(32)36-27-24)37(33,34)22-5-3-2-4-6-22/h2-10,12-14,16,23,26,29-31H,11,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in pres...				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50221773 (4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethyla...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,22.24| Show InChI InChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Vasodilating activity against phenylephrine-induced contraction in rat thoracic aorta in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221767 (5-(1-hydroxy-2-{1-methyl-2-[4-(4-methyl-5-oxy-fura...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,20.22| Show InChI InChI=1S/C21H25N3O6/c1-13(22-11-21(27)16-8-17(25)10-18(26)9-16)7-15-3-5-19(6-4-15)29-12-20-14(2)24(28)30-23-20/h3-6,8-10,13,21-22,25-27H,7,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50221773 (4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethyla...) Show SMILES CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1 |w:1.0,22.24| Show InChI InChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction				J Med Chem 50: 5003-11 (2007) Article DOI: 10.1021/jm0704595 BindingDB Entry DOI: 10.7270/Q28P61B5
					More data for this Ligand-Target Pair

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