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6 similar compounds to monomer 50070134

Compile data set for download or QSAR
Wt: 345.4
BDBM50070138
Wt: 345.4
BDBM50070139
Wt: 331.4
BDBM50070142
Wt: 345.4
BDBM50070146
Wt: 331.4
BDBM50070149
Wt: 343.4
BDBM50268051

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50070138,50070139,50070142,50070146,50070149,50268051   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070139
PNG
(4-{(S)-2-Hydroxy-3-[(R)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-2 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070146
PNG
(4-{(R)-2-Hydroxy-3-[(R)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-2 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50268051
PNG
((+/-)-1-((1,1-Dimethyl-3-[4-(methyloxy)phenyl]prop...)
Show SMILES COc1ccc(CCC(C)(C)NCC(O)COc2ccccc2)cc1
Show InChI InChI=1S/C21H29NO3/c1-21(2,14-13-17-9-11-19(24-3)12-10-17)22-15-18(23)16-25-20-7-5-4-6-8-20/h4-12,18,22-23H,13-16H2,1-3H3
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n/an/a 2.78E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0-7 cells by radioligand binding assay


J Med Chem 52: 3982-93 (2009)


Article DOI: 10.1021/jm900364m
BindingDB Entry DOI: 10.7270/Q2M61K5X
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070142
PNG
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)
Show SMILES COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070139
PNG
(4-{(S)-2-Hydroxy-3-[(R)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070146
PNG
(4-{(R)-2-Hydroxy-3-[(R)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1101-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00169-3
BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair