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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'vendome' and Initial = 'j'   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 0.0560n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241840
PNG
(CHEMBL4072903 | US10899756, Compound K)
Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N
Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)
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n/an/a 0.0590n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241832
PNG
(CHEMBL4083986 | US10626113, Compound C | US1089975...)
Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N
Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241842
PNG
(CHEMBL4064315 | US10899756, Compound M)
Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N3O2/c1-3-29-11-17-19(21(29)30)20(27-10-12-4-7-18(31-2)15(23)8-12)14-9-13(22(24,25)26)5-6-16(14)28-17/h4-9H,3,10-11H2,1-2H3,(H,27,28)
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n/an/a 0.290n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of adenylate cyclase via Adenosine A1 receptor in rat fat cell membranes


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241835
PNG
(CHEMBL4092717 | US10899756, Compound AC)
Show SMILES COc1c(F)cc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H20ClFN4O2/c1-13(30)29-6-5-21-17(12-29)22(16-7-14(10-26)3-4-20(16)28-21)27-11-15-8-18(24)23(31-2)19(25)9-15/h3-4,7-9H,5-6,11-12H2,1-2H3,(H,27,28)
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n/an/a 0.320n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242157
PNG
(CHEMBL4070894 | US10626113, Compound B | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H21ClN4O/c1-27-8-7-20-17(13-27)22(16-9-14(11-24)3-5-19(16)26-20)25-12-15-4-6-21(28-2)18(23)10-15/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,25,26)
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n/an/a 0.590n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241834
PNG
(CHEMBL4065036 | US10626113, Compound J | US1089975...)
Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(F)c(Cl)c3)c2C1)C#N
Show InChI InChI=1S/C22H18ClFN4O/c1-13(29)28-7-6-21-17(12-28)22(16-8-14(10-25)3-5-20(16)27-21)26-11-15-2-4-19(24)18(23)9-15/h2-5,8-9H,6-7,11-12H2,1H3,(H,26,27)
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n/an/a 1.5n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241837
PNG
(CHEMBL4102913 | US10626113, Compound G | US1089975...)
Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241843
PNG
(CHEMBL4102250 | US10899756, Compound N)
Show SMILES CCN1Cc2nc3ccc(Cl)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O
Show InChI InChI=1S/C21H19Cl2N3O2/c1-3-26-11-17-19(21(26)27)20(14-9-13(22)5-6-16(14)25-17)24-10-12-4-7-18(28-2)15(23)8-12/h4-9H,3,10-11H2,1-2H3,(H,24,25)
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n/an/a 1.70n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241839
PNG
(CHEMBL4083346)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(Br)cc23)C(C)=O)cc1Cl
Show InChI InChI=1S/C22H21BrClN3O2/c1-13(28)27-8-7-20-17(12-27)22(16-10-15(23)4-5-19(16)26-20)25-11-14-3-6-21(29-2)18(24)9-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26)
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n/an/a 3.10n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241841
PNG
(CHEMBL4092040 | US10899756, Compound L)
Show SMILES CCN1Cc2nc3ccc(OC)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O
Show InChI InChI=1S/C22H22ClN3O3/c1-4-26-12-18-20(22(26)27)21(15-10-14(28-2)6-7-17(15)25-18)24-11-13-5-8-19(29-3)16(23)9-13/h5-10H,4,11-12H2,1-3H3,(H,24,25)
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n/an/a 3.80n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'


(Homo sapiens (Human))
BDBM50241840
PNG
(CHEMBL4072903 | US10899756, Compound K)
Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N
Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)
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n/an/a 6.60n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242154
PNG
(CHEMBL4099788 | US10626113, Compound A | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(Br)cc23)cc1Cl
Show InChI InChI=1S/C21H21BrClN3O/c1-26-8-7-19-16(12-26)21(15-10-14(22)4-5-18(15)25-19)24-11-13-3-6-20(27-2)17(23)9-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'


(Homo sapiens (Human))
BDBM50241831
PNG
(CHEMBL4062273 | US10626113, Compound M | US1089975...)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 30n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE6C using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241838
PNG
(CHEMBL4061516)
Show SMILES COc1ccc2nc3CCN(Cc3c(NCc3ccc(OC)c(Cl)c3)c2c1)C(C)=O
Show InChI InChI=1S/C23H24ClN3O3/c1-14(28)27-9-8-21-18(13-27)23(17-11-16(29-2)5-6-20(17)26-21)25-12-15-4-7-22(30-3)19(24)10-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242155
PNG
(CHEMBL4100445 | US10899756, Compound AA)
Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccnc(Cl)c3)c2C1)C#N
Show InChI InChI=1S/C21H18ClN5O/c1-13(28)27-7-5-19-17(12-27)21(25-11-15-4-6-24-20(22)9-15)16-8-14(10-23)2-3-18(16)26-19/h2-4,6,8-9H,5,7,11-12H2,1H3,(H,25,26)
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n/an/a 57n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242158
PNG
(CHEMBL4084285 | US10899756, Compound 0)
Show SMILES CCN1Cc2nc3ccccc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O
Show InChI InChI=1S/C21H20ClN3O2/c1-3-25-12-17-19(21(25)26)20(14-6-4-5-7-16(14)24-17)23-11-13-8-9-18(27-2)15(22)10-13/h4-10H,3,11-12H2,1-2H3,(H,23,24)
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n/an/a 64n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587109
PNG
(CHEMBL5079787)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCC[C@@H]3C3CC3)C(=O)N1)c2 |r|
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n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00296
BindingDB Entry DOI: 10.7270/Q2MG7TFF
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50587109
PNG
(CHEMBL5079787)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCC[C@@H]3C3CC3)C(=O)N1)c2 |r|
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n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta-5c subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00296
BindingDB Entry DOI: 10.7270/Q2MG7TFF
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242159
PNG
(CHEMBL4084966)
Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(C)cc23)C(C)=O)cc1Cl
Show InChI InChI=1S/C23H24ClN3O2/c1-14-4-6-20-17(10-14)23(18-13-27(15(2)28)9-8-21(18)26-20)25-12-16-5-7-22(29-3)19(24)11-16/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,26)
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n/an/a 110n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of gastric H+/K+ ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50242156
PNG
(CHEMBL4096417 | US10899756, Compound P)
Show SMILES COc1ccc(CNc2c3C(=O)N(Cc3nc3ccccc23)C(C)(C)C)cc1Cl
Show InChI InChI=1S/C23H24ClN3O2/c1-23(2,3)27-13-18-20(22(27)28)21(15-7-5-6-8-17(15)26-18)25-12-14-9-10-19(29-4)16(24)11-14/h5-11H,12-13H2,1-4H3,(H,25,26)
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n/an/a 333n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of K+ stimulated gastric ATPase


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50241833
PNG
(CHEMBL4073617 | US10626113, Compound I | US1089975...)
Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(OC(F)(F)F)c(Cl)c3)c2C1)C#N
Show InChI InChI=1S/C23H18ClF3N4O2/c1-13(32)31-7-6-20-17(12-31)22(16-8-14(10-28)2-4-19(16)30-20)29-11-15-3-5-21(18(24)9-15)33-23(25,26)27/h2-5,8-9H,6-7,11-12H2,1H3,(H,29,30)
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n/an/a 337n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay


J Med Chem 60: 8858-8875 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00979
BindingDB Entry DOI: 10.7270/Q2J67K3P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587110
PNG
(CHEMBL5079934)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCC[C@H]3C3CC3)C(=O)N1)c2 |r|
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n/an/a 870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00296
BindingDB Entry DOI: 10.7270/Q2MG7TFF
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50587110
PNG
(CHEMBL5079934)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1CCCCOc2cccc(CCC(=O)N[C@@H](CC(=O)N3CCC[C@H]3C3CC3)C(=O)N1)c2 |r|
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S constitutive proteasome beta-5c subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00296
BindingDB Entry DOI: 10.7270/Q2MG7TFF
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600764
PNG
(CHEMBL5182017)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600773
PNG
(CHEMBL5174759 | US20240043470, Compound 3-08)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600775
PNG
(CHEMBL5207942 | US20240043470, Compound 3-28)
Show SMILES Fc1ccc(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)cc1 |r|
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600767
PNG
(CHEMBL5191353 | US20240043470, Compound 3-07)
Show SMILES O=C(NCC1CC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600776
PNG
(CHEMBL5198676 | US20240043470, Compound 3-42)
Show SMILES FC1(F)CCN(CC[C@@H]2NC(=O)[C@H](Cc3cccc(OCCCC[C@H](NC2=O)C(=O)NC2CCCC2)c3)N2CCCC2=O)CC1 |r|
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50583310
PNG
(CHEMBL5082711)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
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n/an/a 3.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600762
PNG
(CHEMBL5180427 | US20240043470, Compound 1-53)
Show SMILES CC(=O)N[C@H]1Cc2cccc(Oc3cccc(C[C@H](NC(=O)[C@H](CCc4ccccc4)NC1=O)C(=O)NCC(F)(F)F)c3)c2 |r|
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600765
PNG
(CHEMBL5175549 | US20240043470, Compound 3-09)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1COCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 6.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50583310
PNG
(CHEMBL5082711)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
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n/an/a 8.35E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600766
PNG
(CHEMBL5193963 | US20240043470, Compound 3-10)
Show SMILES FC(F)CNC(=O)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](CCc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 8.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600768
PNG
(CHEMBL5195365 | US20240043470, Compound 3-11)
Show SMILES Cn1cc(CNC(=O)[C@@H]2CCCCOc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N2)c3)cn1 |r|
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n/an/a 9.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600774
PNG
(CHEMBL5200145 | US20240043470, Compound 3-35)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCCC3=O)C(=O)N[C@@H](COc3ccccc3)C(=O)N1)c2 |r|
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n/an/a 1.31E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600782
PNG
(CHEMBL5198080)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCC3)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50600782
PNG
(CHEMBL5198080)
Show SMILES O=C(NC1CCCC1)[C@@H]1CCCCOc2cccc(C[C@H](N3CCC3)C(=O)N[C@@H](CCN3CCOCC3)C(=O)N1)c2 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50587103
PNG
(CHEMBL5086113 | US20240043470, Compound 2-01-B)
Show SMILES Fc1ccccc1CNC(=O)[C@@H]1Cc2ccc(Oc3cccc(CCC(=O)N[C@@H](CC(=O)N4CCCC4)C(=O)N1)c3)cc2 |r|
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n/an/a 2.11E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00296
BindingDB Entry DOI: 10.7270/Q2MG7TFF
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50583311
PNG
(CHEMBL5084930)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NC(C)C
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n/an/a 2.24E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50583312
PNG
(CHEMBL5076143)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NCc1ccccc1
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n/an/a 2.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50583312
PNG
(CHEMBL5076143)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NCc1ccccc1
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50600763
PNG
(CHEMBL5194112 | US20240043470, Compound 1-56)
Show SMILES FC(F)(F)CNC(=O)[C@@H]1Cc2cccc(Oc3cccc(C[C@H](N4CCCC4=O)C(=O)N[C@@H](CCc4ccccc4)C(=O)N1)c3)c2 |r|
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n/an/a 2.63E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00611
BindingDB Entry DOI: 10.7270/Q20869BV
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50239382
PNG
(Lidamidine)
Show SMILES CN=C(N)NC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50583311
PNG
(CHEMBL5084930)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)C(=O)NC(C)C
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50583313
PNG
(CHEMBL5084225)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(NS(=O)(=O)c2ccccc2)cc1CC
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50583314
PNG
(CHEMBL5075910)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
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MCE
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PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50239382
PNG
(Lidamidine)
Show SMILES CN=C(N)NC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50583314
PNG
(CHEMBL5075910)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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MCE
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UniChem
Article
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hERG expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50583313
PNG
(CHEMBL5084225)
Show SMILES CCNC(=N)NC(=O)Nc1c(CC)cc(NS(=O)(=O)c2ccccc2)cc1CC
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hERG expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI: 10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
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