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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'okamoto' and Initial = 'k'   
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
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256378
PNG
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12
Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.800n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256218
PNG
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256315
PNG
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)
Show SMILES COc1ccccc1\N=C1/OCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256318
PNG
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256317
PNG
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256431
PNG
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256319
PNG
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)
Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1
Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256318
PNG
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256317
PNG
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256319
PNG
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)
Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1
Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18-
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1n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256219
PNG
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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1.5n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256380
PNG
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20-
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1.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256433
PNG
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12
Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20-
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1.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256381
PNG
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19-
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2.40n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256379
PNG
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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3.40n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256377
PNG
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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4.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256430
PNG
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12
Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21-
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4.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256378
PNG
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12
Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19-
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4.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256432
PNG
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12
Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19-
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5.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256220
PNG
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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5.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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6n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256430
PNG
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12
Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21-
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6.60n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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6.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256316
PNG
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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6.80n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256380
PNG
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20-
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9.20n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256218
PNG
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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9.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256222
PNG
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccccc1
Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15-
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11n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256381
PNG
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19-
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14n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256431
PNG
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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14n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256377
PNG
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C
Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15-
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17n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256220
PNG
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CO\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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31n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256219
PNG
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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49n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256315
PNG
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)
Show SMILES COc1ccccc1\N=C1/OCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16-
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59n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256432
PNG
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12
Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19-
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76n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256433
PNG
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12
Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20-
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101n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256316
PNG
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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152n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50256221
PNG
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12
Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23)
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155n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256222
PNG
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccccc1
Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15-
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515n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50256221
PNG
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)
Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12
Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23)
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624n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058752
PNG
(CHEMBL3335630)
Show SMILES COCCOCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1
Show InChI InChI=1S/C41H50N4O3/c1-30-26-44(27-33-7-12-39(42-25-33)29-48-18-17-47-2)15-16-45(30)28-32-3-8-37(9-4-32)40(46)43-38-10-5-31(6-11-38)13-14-41-22-34-19-35(23-41)21-36(20-34)24-41/h3-12,25,30,34-36H,15-24,26-29H2,1-2H3,(H,43,46)/t30-,34?,35?,36?,41?/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058757
PNG
(CHEMBL3335423)
Show SMILES O=C(Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C36H40N4O/c41-35(33-7-3-28(4-8-33)25-39-14-16-40(17-15-39)26-29-2-1-13-37-24-29)38-34-9-5-27(6-10-34)11-12-36-21-30-18-31(22-36)20-32(19-30)23-36/h1-10,13,24,30-32H,14-23,25-26H2,(H,38,41)
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n/an/a 0.970n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058753
PNG
(CHEMBL3335427)
Show SMILES COCc1ccc(CN2CCN(Cc3ccc(cc3)C(=O)Nc3ccc(cc3)C#CC34CC5CC(CC(C5)C3)C4)[C@@H](C)C2)cn1
Show InChI InChI=1S/C39H46N4O2/c1-28-24-42(25-31-7-12-37(27-45-2)40-23-31)15-16-43(28)26-30-3-8-35(9-4-30)38(44)41-36-10-5-29(6-11-36)13-14-39-20-32-17-33(21-39)19-34(18-32)22-39/h3-12,23,28,32-34H,15-22,24-27H2,1-2H3,(H,41,44)/t28-,32?,33?,34?,39?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058754
PNG
(CHEMBL3335426)
Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C#CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C37H42N4O/c1-27-24-40(25-30-3-2-14-38-23-30)15-16-41(27)26-29-4-8-34(9-5-29)36(42)39-35-10-6-28(7-11-35)12-13-37-20-31-17-32(21-37)19-33(18-31)22-37/h2-11,14,23,27,31-33H,15-22,24-26H2,1H3,(H,39,42)/t27-,31?,32?,33?,37?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058760
PNG
(CHEMBL3335421)
Show SMILES O=C(Nc1ccc(cc1)C#CC1CCCCC1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C32H36N4O/c37-32(34-31-16-12-27(13-17-31)9-8-26-5-2-1-3-6-26)30-14-10-28(11-15-30)24-35-19-21-36(22-20-35)25-29-7-4-18-33-23-29/h4,7,10-18,23,26H,1-3,5-6,19-22,24-25H2,(H,34,37)
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n/an/a 3.10n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058766
PNG
(CHEMBL3335415)
Show SMILES C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O/c1-19-16-32(17-21-3-2-12-30-15-21)13-14-33(19)18-20-4-6-22(7-5-20)25(34)31-24-10-8-23(9-11-24)26(27,28)29/h2-12,15,19H,13-14,16-18H2,1H3,(H,31,34)/t19-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50056538
PNG
(CHEMBL159820 | [3-(5-Chloro-benzothiazol-2-ylmethy...)
Show SMILES OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
Show InChI InChI=1S/C14H10ClN3O4S/c15-8-1-2-10-9(5-8)16-11(23-10)6-18-12(19)3-4-17(14(18)22)7-13(20)21/h1-5H,6-7H2,(H,20,21)
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n/an/a 5.70n/an/an/an/an/an/a



Nippon Zoki Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat lens aldose reductase(AR).


J Med Chem 40: 684-94 (1997)


Article DOI: 10.1021/jm960594+
BindingDB Entry DOI: 10.7270/Q2251H84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058755
PNG
(CHEMBL3335425)
Show SMILES Nc1ncccc1C(=O)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(cc2)C#CC23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C36H39N5O2/c37-33-32(2-1-13-38-33)35(43)41-16-14-40(15-17-41)24-26-3-7-30(8-4-26)34(42)39-31-9-5-25(6-10-31)11-12-36-21-27-18-28(22-36)20-29(19-27)23-36/h1-10,13,27-29H,14-24H2,(H2,37,38)(H,39,42)
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n/an/a 5.80n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50058762
PNG
(CHEMBL3335419)
Show SMILES O=C(Nc1ccc(cc1)C#Cc1ccccc1)c1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C32H30N4O/c37-32(34-31-16-12-27(13-17-31)9-8-26-5-2-1-3-6-26)30-14-10-28(11-15-30)24-35-19-21-36(22-20-35)25-29-7-4-18-33-23-29/h1-7,10-18,23H,19-22,24-25H2,(H,34,37)
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n/an/a 7.90n/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay


Bioorg Med Chem 22: 5513-29 (2014)


Article DOI: 10.1016/j.bmc.2014.07.020
BindingDB Entry DOI: 10.7270/Q24J0GSG
More data for this
Ligand-Target Pair
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