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Compile Data Set for Download or QSAR

Found 22 hits of ec50 data for polymerid = 49000250,49000251,49000255,49000256,50000525,50002638   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50156304
PNG
(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
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n/an/an/an/a 12n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(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
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
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n/an/an/an/a 14n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(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
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
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n/an/an/an/a 14n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](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/t11-,17+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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n/an/an/an/a 103n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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n/an/an/an/a 133n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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n/an/an/an/a 186n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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n/an/an/an/a 506n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | US9492405, (R...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](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/t11-,17-/m0/s1
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n/an/an/an/a 575n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(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
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
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n/an/an/an/a 860n/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221773
PNG
(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
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)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221773
PNG
(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
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)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50156304
PNG
(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
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n/an/an/an/a 1.20E+3n/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221772
PNG
(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
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
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n/an/an/an/a 1.30E+3n/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50186613
PNG
(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)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 8.55E+3n/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge ...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221773
PNG
(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
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)
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n/an/an/an/a 1.40E+4n/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221773
PNG
(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
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)
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n/an/an/an/a 1.60E+4n/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221767
PNG
(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
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
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n/an/an/an/a 1.80E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50221767
PNG
(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
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

AffyNet 
Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair