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Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'furutani' and Initial = 'y'   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156267
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfony...)
Show SMILES CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12
Show InChI InChI=1S/C25H28N4O5S2/c1-35(31,32)24-10-4-9-22-18(15-28-25(22)24)11-12-27-16-23(30)17-5-2-7-20(13-17)29-36(33,34)21-8-3-6-19(26)14-21/h2-10,13-15,23,27-30H,11-12,16,26H2,1H3/t23-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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4n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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4n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156250
PNG
(CHEMBL361505 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C24H27N3O4S2/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)31-2)25-15-21(28)17-6-3-7-19(13-17)27-33(29,30)23-10-5-11-32-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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14n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156257
PNG
(CHEMBL188196 | [3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thio...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H27N3O6S2/c1-16(11-18-13-27-25-20(18)7-3-8-22(25)34-15-23(30)31)26-14-21(29)17-5-2-6-19(12-17)28-36(32,33)24-9-4-10-35-24/h2-10,12-13,16,21,26-29H,11,14-15H2,1H3,(H,30,31)/t16-,21+/m1/s1
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17n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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20n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156250
PNG
(CHEMBL361505 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C24H27N3O4S2/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)31-2)25-15-21(28)17-6-3-7-19(13-17)27-33(29,30)23-10-5-11-32-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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25n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156270
PNG
(CHEMBL188622 | Methanesulfonic acid 3-(2-{2-hydrox...)
Show SMILES CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C23H25N3O6S3/c1-34(28,29)32-21-8-3-7-19-17(14-25-23(19)21)10-11-24-15-20(27)16-5-2-6-18(13-16)26-35(30,31)22-9-4-12-33-22/h2-9,12-14,20,24-27H,10-11,15H2,1H3/t20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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34n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156250
PNG
(CHEMBL361505 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C24H27N3O4S2/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)31-2)25-15-21(28)17-6-3-7-19(13-17)27-33(29,30)23-10-5-11-32-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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43n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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48n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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48n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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51n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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66n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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66n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156267
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfony...)
Show SMILES CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12
Show InChI InChI=1S/C25H28N4O5S2/c1-35(31,32)24-10-4-9-22-18(15-28-25(22)24)11-12-27-16-23(30)17-5-2-7-20(13-17)29-36(33,34)21-8-3-6-19(26)14-21/h2-10,13-15,23,27-30H,11-12,16,26H2,1H3/t23-/m0/s1
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70n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156267
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfony...)
Show SMILES CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12
Show InChI InChI=1S/C25H28N4O5S2/c1-35(31,32)24-10-4-9-22-18(15-28-25(22)24)11-12-27-16-23(30)17-5-2-7-20(13-17)29-36(33,34)21-8-3-6-19(26)14-21/h2-10,13-15,23,27-30H,11-12,16,26H2,1H3/t23-/m0/s1
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89n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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110n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156257
PNG
(CHEMBL188196 | [3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thio...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H27N3O6S2/c1-16(11-18-13-27-25-20(18)7-3-8-22(25)34-15-23(30)31)26-14-21(29)17-5-2-6-19(12-17)28-36(32,33)24-9-4-10-35-24/h2-10,12-13,16,21,26-29H,11,14-15H2,1H3,(H,30,31)/t16-,21+/m1/s1
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160n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50156270
PNG
(CHEMBL188622 | Methanesulfonic acid 3-(2-{2-hydrox...)
Show SMILES CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C23H25N3O6S3/c1-34(28,29)32-21-8-3-7-19-17(14-25-23(19)21)10-11-24-15-20(27)16-5-2-6-18(13-16)26-35(30,31)22-9-4-12-33-22/h2-9,12-14,20,24-27H,10-11,15H2,1H3/t20-/m0/s1
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223n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156270
PNG
(CHEMBL188622 | Methanesulfonic acid 3-(2-{2-hydrox...)
Show SMILES CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
Show InChI InChI=1S/C23H25N3O6S3/c1-34(28,29)32-21-8-3-7-19-17(14-25-23(19)21)10-11-24-15-20(27)16-5-2-6-18(13-16)26-35(30,31)22-9-4-12-33-22/h2-9,12-14,20,24-27H,10-11,15H2,1H3/t20-/m0/s1
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230n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50156257
PNG
(CHEMBL188196 | [3-(2-{(R)-(R)-2-Hydroxy-2-[3-(thio...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H27N3O6S2/c1-16(11-18-13-27-25-20(18)7-3-8-22(25)34-15-23(30)31)26-14-21(29)17-5-2-6-19(12-17)28-36(32,33)24-9-4-10-35-24/h2-10,12-13,16,21,26-29H,11,14-15H2,1H3,(H,30,31)/t16-,21+/m1/s1
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480n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567336
PNG
(CHEMBL4876055)
Show SMILES CCCNc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567332
PNG
(CHEMBL4853586)
Show SMILES CCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567334
PNG
(CHEMBL4869045)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccn(Cn3cc(NC(=O)Cc4ccccc4)cn3)n2)cc1
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567333
PNG
(CHEMBL4865589)
Show SMILES CCCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567331
PNG
(CHEMBL4850885)
Show SMILES CC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567335
PNG
(CHEMBL4854814)
Show SMILES CC(C)C(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567321
PNG
(CHEMBL4849248)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
PDB

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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567330
PNG
(CHEMBL4845740)
Show SMILES CC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567311
PNG
(CHEMBL4853734)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
PDB

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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567314
PNG
(CHEMBL4867409)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567329
PNG
(CHEMBL4875814)
Show SMILES Cl.Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
PDB

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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567317
PNG
(CHEMBL4858182)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)cc2)c1
PDB

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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567319
PNG
(CHEMBL4863040)
Show SMILES CC(C)c1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
PDB

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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567328
PNG
(CHEMBL4874770)
Show SMILES [O-][N+](=O)c1ccn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)c1
PDB

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n/an/a 2.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567315
PNG
(CHEMBL4849512)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(F)cc2)c1
PDB

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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567316
PNG
(CHEMBL4870109)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2cccc(c2)C(F)(F)F)c1
PDB

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n/an/a 3.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567327
PNG
(CHEMBL4878520)
Show SMILES Brc1ccc(NC(=O)c2ccn(Cn3ccnc3)n2)cc1
PDB

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n/an/a 3.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567313
PNG
(CHEMBL4874103)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2cccc(Br)c2)c1
PDB

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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567323
PNG
(CHEMBL4877296)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)cc2Cl)c1
PDB

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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567312
PNG
(CHEMBL4849180)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccccc2Br)c1
PDB

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n/an/a 4.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567326
PNG
(CHEMBL4862722)
Show SMILES [O-][N+](=O)c1cn(Cn2ccc(n2)C(=O)Nc2ccc(Br)cc2)cn1
PDB

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n/an/a 5.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567325
PNG
(CHEMBL4849932)
Show SMILES Brc1ccc(NC(=O)c2ccn(Cn3cccn3)n2)cc1
PDB

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n/an/a 6.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567324
PNG
(CHEMBL4855767)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(F)cc2F)c1
PDB

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n/an/a 8.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567322
PNG
(CHEMBL4860096)
Show SMILES Oc1ccccc1NC(=O)c1ccn(Cn2cc(cn2)[N+]([O-])=O)n1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567320
PNG
(CHEMBL4849924)
Show SMILES COc1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50567318
PNG
(CHEMBL4849221)
Show SMILES [O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccccc2)c1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116375
BindingDB Entry DOI: 10.7270/Q2542S9V
More data for this
Ligand-Target Pair
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