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Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'trifilieff' and Initial = 'a'   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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0.390n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055260
PNG
(CHEMBL3323658)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/s2
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0.400n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50421329
PNG
(CHEMBL2088201)
Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055263
PNG
(CHEMBL3323654)
Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/s2
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055250
PNG
(CHEMBL3323653)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/s2
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055260
PNG
(CHEMBL3323658)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/s2
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055245
PNG
(CHEMBL3323668)
Show SMILES CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C21H26N2O3S/c1-2-3-5-14-6-4-7-15(12-14)10-11-22-13-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h4,6-9,12,18,22,24-25H,2-3,5,10-11,13H2,1H3,(H,23,26)/t18-/s2
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1.40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055249
PNG
(CHEMBL3323670)
Show SMILES CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C21H26N2O4S/c1-2-3-11-27-15-6-4-5-14(12-15)9-10-22-13-18(25)16-7-8-17(24)19-20(16)28-21(26)23-19/h4-8,12,18,22,24-25H,2-3,9-11,13H2,1H3,(H,23,26)/t18-/s2
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1.70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50421329
PNG
(CHEMBL2088201)
Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055251
PNG
(CHEMBL3323655)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C20H28N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h9-10,12-13,15,17,21,23-24H,1-8,11H2,(H,22,25)/t13-,15-,17+/s2
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324855
PNG
(7-((R)-2-((1S,2S)-2-(benzyloxy)cyclopentylamino)-1...)
Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17-,18-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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2.60n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055254
PNG
(CHEMBL3323666)
Show SMILES CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C20H24N2O3S/c1-2-4-13-5-3-6-14(11-13)9-10-21-12-17(24)15-7-8-16(23)18-19(15)26-20(25)22-18/h3,5-8,11,17,21,23-24H,2,4,9-10,12H2,1H3,(H,22,25)/t17-/s2
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3.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318156
PNG
(CHEMBL1094785 | carmoterol)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
Show InChI InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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3.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055246
PNG
(CHEMBL3323669)
Show SMILES CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C21H26N2O4S/c1-2-3-12-27-15-6-4-14(5-7-15)10-11-22-13-18(25)16-8-9-17(24)19-20(16)28-21(26)23-19/h4-9,18,22,24-25H,2-3,10-13H2,1H3,(H,23,26)/t18-/s2
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3.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50128690
PNG
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12
Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)
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4n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055252
PNG
(CHEMBL3323657)
Show SMILES CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C17H24N2O3S/c1-9(2)10-4-3-5-12(10)18-8-14(21)11-6-7-13(20)15-16(11)23-17(22)19-15/h6-7,9-10,12,14,18,20-21H,3-5,8H2,1-2H3,(H,19,22)/t10-,12-,14+/s2
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4.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055249
PNG
(CHEMBL3323670)
Show SMILES CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C21H26N2O4S/c1-2-3-11-27-15-6-4-5-14(12-15)9-10-22-13-18(25)16-7-8-17(24)19-20(16)28-21(26)23-19/h4-8,12,18,22,24-25H,2-3,9-11,13H2,1H3,(H,23,26)/t18-/s2
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4.30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055254
PNG
(CHEMBL3323666)
Show SMILES CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C20H24N2O3S/c1-2-4-13-5-3-6-14(11-13)9-10-21-12-17(24)15-7-8-16(23)18-19(15)26-20(25)22-18/h3,5-8,11,17,21,23-24H,2,4,9-10,12H2,1H3,(H,22,25)/t17-/s2
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5.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055253
PNG
(CHEMBL3323659)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C20H22N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,17,21,23-24H,4,7-8,11H2,(H,22,25)/t13-,15-,17+/s2
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5.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055243
PNG
(CHEMBL3323667)
Show SMILES CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C21H26N2O3S/c1-13(2)11-15-5-3-14(4-6-15)9-10-22-12-18(25)16-7-8-17(24)19-20(16)27-21(26)23-19/h3-8,13,18,22,24-25H,9-12H2,1-2H3,(H,23,26)/t18-/s2
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6.10n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055250
PNG
(CHEMBL3323653)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/s2
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6.70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055243
PNG
(CHEMBL3323667)
Show SMILES CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C21H26N2O3S/c1-13(2)11-15-5-3-14(4-6-15)9-10-22-12-18(25)16-7-8-17(24)19-20(16)27-21(26)23-19/h3-8,13,18,22,24-25H,9-12H2,1-2H3,(H,23,26)/t18-/s2
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6.80n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055250
PNG
(CHEMBL3323653)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/s2
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6.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055259
PNG
(CHEMBL3323660)
Show SMILES Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C21H24N2O3S/c1-12-5-2-3-6-13(12)14-7-4-8-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h2-3,5-6,9-10,14,16,18,22,24-25H,4,7-8,11H2,1H3,(H,23,26)/t14-,16-,18+/s2
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7.10n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055245
PNG
(CHEMBL3323668)
Show SMILES CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r|
Show InChI InChI=1/C21H26N2O3S/c1-2-3-5-14-6-4-7-15(12-14)10-11-22-13-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h4,6-9,12,18,22,24-25H,2-3,5,10-11,13H2,1H3,(H,23,26)/t18-/s2
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7.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055256
PNG
(CHEMBL3323663)
Show SMILES CCc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C22H26N2O3S/c1-2-13-5-3-6-14(11-13)15-7-4-8-17(15)23-12-19(26)16-9-10-18(25)20-21(16)28-22(27)24-20/h3,5-6,9-11,15,17,19,23,25-26H,2,4,7-8,12H2,1H3,(H,24,27)/t15-,17-,19+/s2
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12n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055246
PNG
(CHEMBL3323669)
Show SMILES CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C21H26N2O4S/c1-2-3-12-27-15-6-4-14(5-7-15)10-11-22-13-18(25)16-8-9-17(24)19-20(16)28-21(26)23-19/h4-9,18,22,24-25H,2-3,10-13H2,1H3,(H,23,26)/t18-/s2
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13n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055258
PNG
(CHEMBL3323661)
Show SMILES Cc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C21H24N2O3S/c1-12-4-2-5-13(10-12)14-6-3-7-16(14)22-11-18(25)15-8-9-17(24)19-20(15)27-21(26)23-19/h2,4-5,8-10,14,16,18,22,24-25H,3,6-7,11H2,1H3,(H,23,26)/t14-,16-,18+/s2
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15n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318159
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)
Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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17n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055263
PNG
(CHEMBL3323654)
Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/s2
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18n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055255
PNG
(CHEMBL3323665)
Show SMILES CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C20H24N2O3S/c1-2-3-13-4-6-14(7-5-13)10-11-21-12-17(24)15-8-9-16(23)18-19(15)26-20(25)22-18/h4-9,17,21,23-24H,2-3,10-12H2,1H3,(H,22,25)/t17-/s2
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50421327
PNG
(CHEMBL2088199)
Show SMILES CCCCc1ccc2CC(Cc2c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-2-3-4-15-5-6-16-12-18(13-17(16)11-15)25-14-22(28)19-7-9-21(27)24-20(19)8-10-23(29)26-24/h5-11,18,22,25,27-28H,2-4,12-14H2,1H3,(H,26,29)/t18?,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318159
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)
Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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21n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055264
PNG
(CHEMBL3323671)
Show SMILES Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C |r|
Show InChI InChI=1/C19H22N2O3S/c1-11-3-4-13(9-12(11)2)7-8-20-10-16(23)14-5-6-15(22)17-18(14)25-19(24)21-17/h3-6,9,16,20,22-23H,7-8,10H2,1-2H3,(H,21,24)/t16-/s2
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21n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
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23n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)


Article DOI: 10.1021/jm100068m
BindingDB Entry DOI: 10.7270/Q27H1JRT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055255
PNG
(CHEMBL3323665)
Show SMILES CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1/C20H24N2O3S/c1-2-3-13-4-6-14(7-5-13)10-11-21-12-17(24)15-8-9-16(23)18-19(15)26-20(25)22-18/h4-9,17,21,23-24H,2-3,10-12H2,1H3,(H,22,25)/t17-/s2
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28n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055253
PNG
(CHEMBL3323659)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C20H22N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,17,21,23-24H,4,7-8,11H2,(H,22,25)/t13-,15-,17+/s2
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30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50055264
PNG
(CHEMBL3323671)
Show SMILES Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C |r|
Show InChI InChI=1/C19H22N2O3S/c1-11-3-4-13(9-12(11)2)7-8-20-10-16(23)14-5-6-15(22)17-18(14)25-19(24)21-17/h3-6,9,16,20,22-23H,7-8,10H2,1-2H3,(H,21,24)/t16-/s2
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32n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055256
PNG
(CHEMBL3323663)
Show SMILES CCc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C22H26N2O3S/c1-2-13-5-3-6-14(11-13)15-7-4-8-17(15)23-12-19(26)16-9-10-18(25)20-21(16)28-22(27)24-20/h3,5-6,9-11,15,17,19,23,25-26H,2,4,7-8,12H2,1H3,(H,24,27)/t15-,17-,19+/s2
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33n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055251
PNG
(CHEMBL3323655)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C20H28N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h9-10,12-13,15,17,21,23-24H,1-8,11H2,(H,22,25)/t13-,15-,17+/s2
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40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50421325
PNG
(CHEMBL2088197)
Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5,7,9-10,18,22,25,27-28H,3-4,6,8,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
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45n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055259
PNG
(CHEMBL3323660)
Show SMILES Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C21H24N2O3S/c1-12-5-2-3-6-13(12)14-7-4-8-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h2-3,5-6,9-10,14,16,18,22,24-25H,4,7-8,11H2,1H3,(H,23,26)/t14-,16-,18+/s2
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58n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055252
PNG
(CHEMBL3323657)
Show SMILES CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C17H24N2O3S/c1-9(2)10-4-3-5-12(10)18-8-14(21)11-6-7-13(20)15-16(11)23-17(22)19-15/h6-7,9-10,12,14,18,20-21H,3-5,8H2,1-2H3,(H,19,22)/t10-,12-,14+/s2
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62n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50055262
PNG
(CHEMBL3323656)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C20H28N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h9-10,12-13,15,17,21,23-24H,1-8,11H2,(H,22,25)/t13-,15-,17-/s2
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64n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50055250
PNG
(CHEMBL3323653)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/s2
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66n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50324855
PNG
(7-((R)-2-((1S,2S)-2-(benzyloxy)cyclopentylamino)-1...)
Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17-,18-/m0/s1
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70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.014
BindingDB Entry DOI: 10.7270/Q2Z89F2R
More data for this
Ligand-Target Pair
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