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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'freedman' and Initial = 'mb'   
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
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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 0.490n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024220
PNG
(7-Oxo-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulf...)
Show SMILES NS(=O)(=O)c1cc2SCCC(=O)c2s1
Show InChI InChI=1S/C7H7NO3S3/c8-14(10,11)6-3-5-7(13-6)4(9)1-2-12-5/h3H,1-2H2,(H2,8,10,11)
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 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024224
PNG
(7,7-Dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3...)
Show SMILES NS(=O)(=O)c1cc2CCCS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-4-5-2-1-3-14(9,10)7(5)13-6/h4H,1-3H2,(H2,8,11,12)
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 3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024221
PNG
(4-Oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulf...)
Show SMILES NS(=O)(=O)c1cc2c(SCCC2=O)s1
Show InChI InChI=1S/C7H7NO3S3/c8-14(10,11)6-3-4-5(9)1-2-12-7(4)13-6/h3H,1-2H2,(H2,8,10,11)
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 3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50452418
PNG
(CHEMBL2092886)
Show SMILES NS(=O)(=O)c1cc2[C@@H](O)CCS(=O)(=O)c2s1 |r|
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m0/s1
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 6.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024222
PNG
(5-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-...)
Show SMILES NS(=O)(=O)c1cc2CC(O)CS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-2-4-1-5(9)3-15(10,11)7(4)14-6/h2,5,9H,1,3H2,(H2,8,12,13)
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 7.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50017727
PNG
((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)
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 8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fluorescence competition assay employing the fluorescent CA inhibitor d...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024219
PNG
(4,4,7-Trioxo-4,5,6,7-tetrahydro-4lambda*6*-thieno[...)
Show SMILES NS(=O)(=O)c1cc2c(s1)C(=O)CCS2(=O)=O
Show InChI InChI=1S/C7H7NO5S3/c8-16(12,13)6-3-5-7(14-6)4(9)1-2-15(5,10)11/h3H,1-2H2,(H2,8,12,13)
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 14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024227
PNG
(7-Hydroxy-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-...)
Show SMILES NS(=O)(=O)c1cc2SCCC(O)c2s1
Show InChI InChI=1S/C7H9NO3S3/c8-14(10,11)6-3-5-7(13-6)4(9)1-2-12-5/h3-4,9H,1-2H2,(H2,8,10,11)
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 14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50367483
PNG
(CHEMBL1788205)
Show SMILES NS(=O)(=O)c1cc2[C@H](O)CCS(=O)(=O)c2s1 |r|
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m1/s1
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 15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024223
PNG
(6-Hydroxy-4,4-dioxo-4,5,6,7-tetrahydro-4lambda*6*-...)
Show SMILES NS(=O)(=O)c1cc2c(CC(O)CS2(=O)=O)s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)7-2-6-5(14-7)1-4(9)3-15(6,10)11/h2,4,9H,1,3H2,(H2,8,12,13)
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 18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024225
PNG
(4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCSc2s1
Show InChI InChI=1S/C7H9NO3S3/c8-14(10,11)6-3-4-5(9)1-2-12-7(4)13-6/h3,5,9H,1-2H2,(H2,8,10,11)
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 28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fluorescence competition assay employing the fluorescent CA inhibitor d...

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024218
PNG
(7-Hydroxy-4,4-dioxo-4,5,6,7-tetrahydro-4lambda*6*-...)
Show SMILES NS(=O)(=O)c1cc2c(s1)C(O)CCS2(=O)=O
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-5-7(14-6)4(9)1-2-15(5,10)11/h3-4,9H,1-2H2,(H2,8,12,13)
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 31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024226
PNG
(4-Hydroxy-7-oxo-4,5,6,7-tetrahydro-7lambda*4*-thie...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)c2s1
Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-3-4-5(9)1-2-14(10)7(4)13-6/h3,5,9H,1-2H2,(H2,8,11,12)
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 104n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50024228
PNG
(7-Hydroxy-4-oxo-4,5,6,7-tetrahydro-4lambda*4*-thie...)
Show SMILES NS(=O)(=O)c1cc2c(s1)C(O)CCS2=O
Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-3-5-7(13-6)4(9)1-2-14(5)10/h3-4,9H,1-2H2,(H2,8,11,12)
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 309n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)

J Med Chem 30: 591-7 (1987)


BindingDB Entry DOI: 10.7270/Q2KW5GMM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404976
PNG
(CHEMBL172431)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17)
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n/an/an/a 676n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404993
PNG
(CHEMBL174783)
Show SMILES CC(C)(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C16H23N3O2/c1-16(2,3)19-10-13(20)11-21-14-6-4-12(5-7-14)15-17-8-9-18-15/h4-9,13,19-20H,10-11H2,1-3H3,(H,17,18)
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n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404984
PNG
(CHEMBL366389)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc([nH]2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C23H26F3N3O4/c1-31-19-8-3-15(11-20(19)32-2)9-10-27-12-17(30)14-33-18-6-4-16(5-7-18)22-28-13-21(29-22)23(24,25)26/h3-8,11,13,17,27,30H,9-10,12,14H2,1-2H3,(H,28,29)
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n/an/an/a 5.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404977
PNG
(CHEMBL11671)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)
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n/an/an/a 4.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC |r|
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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n/an/an/a 2.95E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404981
PNG
(CHEMBL174106)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c[nH]2)cc1OC
Show InChI InChI=1S/C23H29N3O4/c1-16-13-25-23(26-16)18-5-7-20(8-6-18)30-15-19(27)14-24-11-10-17-4-9-21(28-2)22(12-17)29-3/h4-9,12-13,19,24,27H,10-11,14-15H2,1-3H3,(H,25,26)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50292219
PNG
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |r|
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
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n/an/an/a 0.363n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404982
PNG
(CHEMBL366769)
Show SMILES CC(C)(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C20H25N3O2S/c1-20(2,3)22-11-15(24)13-25-16-8-6-14(7-9-16)19-21-12-17(23-19)18-5-4-10-26-18/h4-10,12,15,22,24H,11,13H2,1-3H3,(H,21,23)
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404986
PNG
(CHEMBL427297)
Show SMILES Cc1c[nH]c(n1)-c1ccc(OCC(O)CNC(C)(C)C)cc1
Show InChI InChI=1S/C17H25N3O2/c1-12-9-18-16(20-12)13-5-7-15(8-6-13)22-11-14(21)10-19-17(2,3)4/h5-9,14,19,21H,10-11H2,1-4H3,(H,18,20)
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n/an/an/a 60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404983
PNG
(CHEMBL366573)
Show SMILES Cc1c[nH]c(n1)-c1ccc(OCC(O)CNC2CC2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-11-8-18-16(19-11)12-2-6-15(7-3-12)21-10-14(20)9-17-13-4-5-13/h2-3,6-8,13-14,17,20H,4-5,9-10H2,1H3,(H,18,19)
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TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404991
PNG
(CHEMBL174259)
Show SMILES OC(CNCCc1ccccc1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C24H25N3O2S/c28-20(15-25-13-12-18-5-2-1-3-6-18)17-29-21-10-8-19(9-11-21)24-26-16-22(27-24)23-7-4-14-30-23/h1-11,14,16,20,25,28H,12-13,15,17H2,(H,26,27)
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n/an/an/a 186n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404978
PNG
(CHEMBL173424)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/an/a 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404980
PNG
(CHEMBL1788320)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC |r|
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m0/s1
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n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404990
PNG
(CHEMBL177860)
Show SMILES COc1ccc(CC(C)(C)NCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C28H33N3O4S/c1-28(2,15-19-7-12-24(33-3)25(14-19)34-4)30-16-21(32)18-35-22-10-8-20(9-11-22)27-29-17-23(31-27)26-6-5-13-36-26/h5-14,17,21,30,32H,15-16,18H2,1-4H3,(H,29,31)
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n/an/an/a 9.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404985
PNG
(CHEMBL2093062)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC |r|
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m1/s1
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n/an/an/a 54n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 105n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC |r|
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404987
PNG
(CHEMBL3085291)
Show SMILES CC(C)(C)NC[C@H](O)COc1ccc(cc1)-c1nc(c[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C17H22F3N3O2/c1-16(2,3)22-8-12(24)10-25-13-6-4-11(5-7-13)15-21-9-14(23-15)17(18,19)20/h4-7,9,12,22,24H,8,10H2,1-3H3,(H,21,23)/t12-/m0/s1
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n/an/an/a 0.891n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 |r|
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 6.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404979
PNG
(CHEMBL2096751)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2ncc[nH]2)cc1OC |r|
Show InChI InChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404994
PNG
(CHEMBL2096752)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)/t12-/m0/s1
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n/an/an/a 1.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 |r|
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 6.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50404992
PNG
(CHEMBL177765)
Show SMILES COc1ccc(CC(C)NCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C27H31N3O4S/c1-18(13-19-6-11-24(32-2)25(14-19)33-3)28-15-21(31)17-34-22-9-7-20(8-10-22)27-29-16-23(30-27)26-5-4-12-35-26/h4-12,14,16,18,21,28,31H,13,15,17H2,1-3H3,(H,29,30)
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n/an/an/a 6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404989
PNG
(CHEMBL2096750)
Show SMILES O[C@@H](CNC1CC1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 |r|
Show InChI InChI=1S/C19H21N3O2S/c23-15(10-20-14-5-6-14)12-24-16-7-3-13(4-8-16)19-21-11-17(22-19)18-2-1-9-25-18/h1-4,7-9,11,14-15,20,23H,5-6,10,12H2,(H,21,22)/t15-/m0/s1
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n/an/an/a 2.51E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404976
PNG
(CHEMBL172431)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C15H19N3O2/c19-13(9-18-12-3-4-12)10-20-14-5-1-11(2-6-14)15-16-7-8-17-15/h1-2,5-8,12-13,18-19H,3-4,9-10H2,(H,16,17)
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n/an/an/a 1.07E+5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404978
PNG
(CHEMBL173424)
Show SMILES OC(CNC1CC1)COc1ccc(cc1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
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n/an/an/a 145n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404980
PNG
(CHEMBL1788320)
Show SMILES COc1ccc(CCNC[C@H](O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC |r|
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)/t20-/m0/s1
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n/an/an/a 7.41E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/an/a 162n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50404982
PNG
(CHEMBL366769)
Show SMILES CC(C)(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C20H25N3O2S/c1-20(2,3)22-11-15(24)13-25-16-8-6-14(7-9-16)19-21-12-17(23-19)18-5-4-10-26-18/h4-10,12,15,22,24H,11,13H2,1-3H3,(H,21,23)
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n/an/an/a 33.1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...

J Med Chem 26: 950-7 (1983)


BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
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