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Compile Data Set for Download or QSAR

Found 13 hits of ki data for polymerid = 50007095   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166979
PNG
(CHEMBL3798748)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167066
PNG
(CHEMBL3800400)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
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79n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166977
PNG
(CHEMBL3800303)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/m0/s1
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85n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166976
PNG
(CHEMBL3799455)
Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)
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150n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1
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160n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166980
PNG
(CHEMBL3797205)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/m1/s1
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180n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
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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220n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/m1/s1
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300n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167068
PNG
(CHEMBL3799427)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/m1/s1
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530n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167069
PNG
(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166978
PNG
(CHEMBL3800636)
Show SMILES COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO4/c1-30-26-19-22(14-16-27-15-13-21-9-11-23(28)24(29)18-21)10-12-25(26)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19,27-29H,5,8,13-17H2,1H3
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2.30E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167065
PNG
(CHEMBL3797758)
Show SMILES COc1ccccc1OCCNCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO4/c1-21-16-4-2-3-5-17(16)22-11-10-18-9-8-13-6-7-14(19)15(20)12-13/h2-7,12,18-20H,8-11H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair