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PubMed code 1967313

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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-adrenergic receptor


(Mus musculus)
BDBM50010555
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22+/m1/s1
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146n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010562
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)
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390n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010564
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23+/m1/s1
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810n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010565
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES CC(CCCCC(=O)Nc1ccc(C)cc1)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)
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1.18E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010553
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22-/m1/s1
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2.17E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010550
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22-/m0/s1
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2.85E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010567
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24+/m1/s1
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9.07E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010558
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23+/m0/s1
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9.24E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
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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1.35E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010554
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23-/m0/s1
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1.56E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010559
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)/t19-,23-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010551
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24-/m0/s1
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4.10E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010552
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES CC(CCCCC(=O)Nc1ccc(C)cc1)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)
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4.33E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010561
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)/t19-,23+/m1/s1
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4.59E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010560
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23-/m1/s1
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5.36E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010557
PNG
(6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@@H](O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22+/m0/s1
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6.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010568
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)
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7.80E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010566
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)/t19-,23-/m1/s1
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1.30E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010569
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H31F3N2O3/c1-19(7-2-5-12-26(34)32-22-15-13-21(14-16-22)27(28,29)30)31-17-23(33)18-35-25-11-6-9-20-8-3-4-10-24(20)25/h3-4,6,8-11,13-16,19,23,31,33H,2,5,7,12,17-18H2,1H3,(H,32,34)/t19-,23+/m0/s1
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1.79E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010563
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24-/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
1.95E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor


(Mus musculus)
BDBM50010556
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.95E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%