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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50048640   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224298
PNG
(CHEMBL159016)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-11(16)7-3-9(14)10(15)4-8(7)12/h3-4,6,11,13-16H,5H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
BDBM50224298
PNG
(CHEMBL159016)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-11(16)7-3-9(14)10(15)4-8(7)12/h3-4,6,11,13-16H,5H2,1-2H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (Rat)-RAT-NEONATAL RAT-Rattus no...)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50224297
PNG
(CHEMBL158865)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3
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n/an/an/an/a 20n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | PHENYLE...)
Show SMILES CNC[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50224298
PNG
(CHEMBL159016)
Show SMILES CC(C)NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-11(16)7-3-9(14)10(15)4-8(7)12/h3-4,6,11,13-16H,5H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50224296
PNG
(CHEMBL161974)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3
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n/an/an/an/a 10n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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n/an/an/an/a 30n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 680-4 (1982)


Article DOI: 10.1021/jm00348a014
BindingDB Entry DOI: 10.7270/Q24X59ZB
More data for this
Ligand-Target Pair