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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for monomerid = 25762   
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


(Canis familiaris)
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)


J Med Chem 33: 1087-90 (1990)


BindingDB Entry DOI: 10.7270/Q2DB82FG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...


J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration effective against displacing [3H]dihydroalprenolol from beta adrenergic receptor from canine ventricular tissue


J Med Chem 30: 696-704 (1987)


BindingDB Entry DOI: 10.7270/Q2V1271T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized...


J Med Chem 33: 2883-91 (1990)


BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs


J Med Chem 33: 2883-91 (1990)


BindingDB Entry DOI: 10.7270/Q2416XN5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
In vitro Beta-1 adrenergic receptor affinity in partially purified membrane fractions from canine cardiac tissue using [SH]dihydroalprenolol (4.5 nM)


J Med Chem 33: 1087-90 (1990)


BindingDB Entry DOI: 10.7270/Q2DB82FG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular...


J Med Chem 35: 743-50 (1992)


BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 4


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 3


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a>1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 1.93E+5n/an/an/an/an/an/a



ChanTest Corporation

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits


Sci Rep 3: (2013)


Article DOI: 10.1038/srep02100
BindingDB Entry DOI: 10.7270/Q2RB77K2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/a 1.02E+6n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C sub...


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair