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Compile Data Set for Download or QSAR

Found 321 hits with Last Name = 'nikulin' and Initial = 'v'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470923
PNG
(CHEMBL122757)
Show SMILES Oc1cc2CCNC(Cc3cc(I)cc(I)c3)c2cc1O
Show InChI InChI=1S/C16H15I2NO2/c17-11-3-9(4-12(18)7-11)5-14-13-8-16(21)15(20)6-10(13)1-2-19-14/h3-4,6-8,14,19-21H,1-2,5H2
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 0.302n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470917
PNG
(CHEMBL120278)
Show SMILES Oc1cc2CCNC(Cc3cc(I)c(I)c(I)c3)c2cc1O
Show InChI InChI=1S/C16H14I3NO2/c17-11-3-8(4-12(18)16(11)19)5-13-10-7-15(22)14(21)6-9(10)1-2-20-13/h3-4,6-7,13,20-22H,1-2,5H2
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 1.5n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470918
PNG
(CHEMBL123596)
Show SMILES Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C16H16I2N2O2/c17-11-3-8(4-12(18)16(11)19)5-13-10-7-15(22)14(21)6-9(10)1-2-20-13/h3-4,6-7,13,20-22H,1-2,5,19H2
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 1.5n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136934
PNG
(3',4'-Dichloro-biphenyl-3-sulfonic acid (3-chloro-...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21Cl3N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)26)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(24)20(25)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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 1.60n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 2n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470916
PNG
(CHEMBL121704)
Show SMILES Oc1cc2CCNC(Cc3ccc(NC(=O)c4ccccc4)c(I)c3)c2cc1O
Show InChI InChI=1S/C23H21IN2O3/c24-18-10-14(6-7-19(18)26-23(29)15-4-2-1-3-5-15)11-20-17-13-22(28)21(27)12-16(17)8-9-25-20/h1-7,10,12-13,20,25,27-28H,8-9,11H2,(H,26,29)
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 2n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 2n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136916
PNG
(3'-Chloro-4'-fluoro-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21Cl2FN4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)25)30-33(31,32)17-5-3-4-14(8-17)15-6-7-20(26)19(24)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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 3.40n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136914
PNG
(4'-Chloro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)
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 3.90n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470924
PNG
(CHEMBL122990)
Show SMILES Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C16H17IN2O2/c17-12-5-9(1-2-13(12)18)6-14-11-8-16(21)15(20)7-10(11)3-4-19-14/h1-2,5,7-8,14,19-21H,3-4,6,18H2
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 6.5n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470919
PNG
(CHEMBL332964)
Show SMILES CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C18H19IN2O3/c1-10(22)21-15-3-2-11(6-14(15)19)7-16-13-9-18(24)17(23)8-12(13)4-5-20-16/h2-3,6,8-9,16,20,23-24H,4-5,7H2,1H3,(H,21,22)
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 7.80n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136919
PNG
(3',4'-Difluoro-biphenyl-3-sulfonic acid (3-chloro-...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(F)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21ClF2N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)24)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(25)20(26)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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 8.10n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470922
PNG
(CHEMBL122992)
Show SMILES CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C18H18I2N2O3/c1-9(23)22-18-13(19)4-10(5-14(18)20)6-15-12-8-17(25)16(24)7-11(12)2-3-21-15/h4-5,7-8,15,21,24-25H,2-3,6H2,1H3,(H,22,23)
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 8.70n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136913
PNG
(CHEMBL156794 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cnc3ccccc3c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C26H24ClN5O2S/c1-16(2)14-28-24-13-20(12-22-25(24)30-31-26(22)27)32-35(33,34)21-8-5-7-17(11-21)19-10-18-6-3-4-9-23(18)29-15-19/h3-13,15-16,28,32H,14H2,1-2H3,(H,30,31)
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 10.8n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136936
PNG
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-8-4-6-16(10-19)15-5-3-7-17(9-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)
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 11n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50470920
PNG
(CHEMBL121964)
Show SMILES Oc1cc2CCNC(Cc3cc(I)c(O)c(I)c3)c2cc1O
Show InChI InChI=1S/C16H15I2NO3/c17-11-3-8(4-12(18)16(11)22)5-13-10-7-15(21)14(20)6-9(10)1-2-19-13/h3-4,6-7,13,19-22H,1-2,5H2
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 12n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136942
PNG
(4'-Chloro-biphenyl-3-sulfonic acid (3-chloro-7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H22Cl2N4O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)25)29-32(30,31)19-5-3-4-16(10-19)15-6-8-17(24)9-7-15/h3-12,14,26,29H,13H2,1-2H3,(H,27,28)
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 12.5n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136911
PNG
(4'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-5-3-4-16(10-19)15-6-8-17(9-7-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)
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 13n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136918
PNG
(4'-Fluoro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H24ClFN4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)25)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(26)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)
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 14.6n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136935
PNG
(3'-Methylsulfanyl-biphenyl-3-sulfonic acid (3-chlo...)
Show SMILES CSc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(Cl)c2c1
Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)14-26-22-13-18(12-21-23(22)27-28-24(21)25)29-33(30,31)20-9-5-7-17(11-20)16-6-4-8-19(10-16)32-3/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)
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 17n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136910
PNG
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12
Show InChI InChI=1S/C25H25F3N4O2S/c1-15(2)14-29-23-13-20(12-22-16(3)30-31-24(22)23)32-35(33,34)21-9-5-7-18(11-21)17-6-4-8-19(10-17)25(26,27)28/h4-13,15,29,32H,14H2,1-3H3,(H,30,31)
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 20n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 21n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human Beta-3 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136943
PNG
(3'-(2-Hydroxy-ethyl)-biphenyl-3-sulfonic acid (3-c...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(CCO)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C25H27ClN4O3S/c1-16(2)15-27-23-14-20(13-22-24(23)28-29-25(22)26)30-34(32,33)21-8-4-7-19(12-21)18-6-3-5-17(11-18)9-10-31/h3-8,11-14,16,27,30-31H,9-10,15H2,1-2H3,(H,28,29)
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 25n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136922
PNG
(CHEMBL346924 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H24ClN5O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)24)29-32(30,31)19-6-4-5-16(10-19)17-7-8-25-15(3)9-17/h4-12,14,26,29H,13H2,1-3H3,(H,27,28)
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 28.5n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136940
PNG
(3'-Methyl-biphenyl-3-sulfonic acid (3-chloro-7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)14-26-22-13-19(12-21-23(22)27-28-24(21)25)29-32(30,31)20-9-5-8-18(11-20)17-7-4-6-16(3)10-17/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)
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 36n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136907
PNG
(CHEMBL153876 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C22H23ClN6O2S/c1-13(2)12-25-20-11-16(10-18-21(20)27-28-22(18)23)29-32(30,31)17-6-4-5-15(9-17)19-7-8-24-14(3)26-19/h4-11,13,25,29H,12H2,1-3H3,(H,27,28)
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 36n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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 44n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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 44n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 47n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136930
PNG
(CHEMBL154614 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C22H22ClN5O2S/c1-14(2)13-25-20-12-17(11-19-21(20)26-27-22(19)23)28-31(29,30)18-5-3-4-16(10-18)15-6-8-24-9-7-15/h3-12,14,25,28H,13H2,1-2H3,(H,26,27)
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 52n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 79n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 79n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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 79.4n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136921
PNG
(Biphenyl-3-sulfonic acid (3-chloro-7-isobutylamino...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H23ClN4O2S/c1-15(2)14-25-21-13-18(12-20-22(21)26-27-23(20)24)28-31(29,30)19-10-6-9-17(11-19)16-7-4-3-5-8-16/h3-13,15,25,28H,14H2,1-2H3,(H,26,27)
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 94n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136938
PNG
(3'-Methyl-biphenyl-3-sulfonic acid (7-isobutylamin...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)
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 100n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136939
PNG
(3'-Ethyl-biphenyl-3-sulfonic acid (7-isobutylamino...)
Show SMILES CCc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(C)c2c1
Show InChI InChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29)
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 125n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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 162n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50470923
PNG
(CHEMBL122757)
Show SMILES Oc1cc2CCNC(Cc3cc(I)cc(I)c3)c2cc1O
Show InChI InChI=1S/C16H15I2NO2/c17-11-3-9(4-12(18)7-11)5-14-13-8-16(21)15(20)6-10(13)1-2-19-14/h3-4,6-8,14,19-21H,1-2,5H2
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 178n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50470923
PNG
(CHEMBL122757)
Show SMILES Oc1cc2CCNC(Cc3cc(I)cc(I)c3)c2cc1O
Show InChI InChI=1S/C16H15I2NO2/c17-11-3-9(4-12(18)7-11)5-14-13-8-16(21)15(20)6-10(13)1-2-19-14/h3-4,6-8,14,19-21H,1-2,5H2
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 182n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50470918
PNG
(CHEMBL123596)
Show SMILES Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C16H16I2N2O2/c17-11-3-8(4-12(18)16(11)19)5-13-10-7-15(22)14(21)6-9(10)1-2-20-13/h3-4,6-7,13,20-22H,1-2,5,19H2
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 186n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136908
PNG
(CHEMBL153820 | N-(7-Isobutylamino-3-methyl-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)13-25-22-12-18(11-20-15(3)27-28-23(20)22)29-32(30,31)19-7-5-6-17(10-19)21-8-9-24-16(4)26-21/h5-12,14,25,29H,13H2,1-4H3,(H,27,28)
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 191n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136905
PNG
(CHEMBL157223 | N-(7-Isobutylamino-3-methyl-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27)
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 240n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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 324n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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 324n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))		BDBM50470922
PNG
(CHEMBL122992)
Show SMILES CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C18H18I2N2O3/c1-9(23)22-18-13(19)4-10(5-14(18)20)6-15-12-8-17(25)16(24)7-11(12)2-3-21-15/h4-5,7-8,15,21,24-25H,2-3,6H2,1H3,(H,22,23)
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 355n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand

J Med Chem 39: 3701-11 (1996)


Article DOI: 10.1021/jm960208o
BindingDB Entry DOI: 10.7270/Q2Q52SBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50093039
PNG
(4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...)
Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I
Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)
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 427n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human Beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136926
PNG
(Biphenyl-3-sulfonic acid (7-isobutylamino-3-methyl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)
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 498n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli (strain K12))		BDBM50136927
PNG
(4-Chloro-N-[3-chloro-7-(cyclopropylmethyl-amino)-1...)
Show SMILES Clc1n[nH]c2c(NCC3CC3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C17H16Cl2N4O2S/c18-11-3-5-13(6-4-11)26(24,25)23-12-7-14-16(21-22-17(14)19)15(8-12)20-9-10-1-2-10/h3-8,10,20,23H,1-2,9H2,(H,21,22)
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 500n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)

J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50472299
PNG
(CHEMBL73917)
Show SMILES COc1cc(CC2NCCc3nc(N)sc23)cc(OC)c1OC
Show InChI InChI=1S/C16H21N3O3S/c1-20-12-7-9(8-13(21-2)14(12)22-3)6-11-15-10(4-5-18-11)19-16(17)23-15/h7-8,11,18H,4-6H2,1-3H3,(H2,17,19)
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 617n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(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
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 676n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand

J Med Chem 42: 2287-94 (1999)


Article DOI: 10.1021/jm990012z
BindingDB Entry DOI: 10.7270/Q2057JN4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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