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Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'parlati' and Initial = 'f'   
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
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277781
PNG
((2S)-2-[(2S)-2-[(5-ethoxy-1,2-oxazol-3-yl)formamid...)
Show SMILES CCOc1cc(no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C26H34N4O9/c1-5-37-21-12-18(30-39-21)23(32)28-20(14-36-4)25(34)29-19(13-35-3)24(33)27-17(22(31)26(2)15-38-26)11-16-9-7-6-8-10-16/h6-10,12,17,19-20H,5,11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)/t17-,19-,20-,26+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500324
PNG
(CHEMBL3747448)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O
Show InChI InChI=1S/C25H25N5O/c1-16-14-20-18(23(26)31)11-7-13-22(20)30(16)25-28-21-12-6-5-10-19(21)24(29-25)27-15-17-8-3-2-4-9-17/h2-4,7-9,11,13-14H,5-6,10,12,15H2,1H3,(H2,26,31)(H,27,28,29)
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n/an/a 6n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r|
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500325
PNG
(Cb 5083 | Cb-5083)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCOCc2c(NCc2ccccc2)n1)C(N)=O
Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
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n/an/a 11n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383200
PNG
(US10278968, Compound 728 | US10793535, Cmpd ID 728)
Show SMILES Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)s2)n1
Show InChI InChI=1S/C27H26F3N7O3S/c1-17-6-4-9-20(31-17)16-24(39)33-26-37-36-25(41-26)11-3-2-8-19-12-13-22(35-34-19)32-23(38)15-18-7-5-10-21(14-18)40-27(28,29)30/h4-7,9-10,12-14H,2-3,8,11,15-16H2,1H3,(H,32,35,38)(H,33,37,39)
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n/an/a 12n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383202
PNG
(US10278968, Compound 730 | US10793535, Cmpd ID 730)
Show SMILES Oc1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N7O4S/c27-26(28,29)40-20-12-16(11-19(37)15-20)13-22(38)31-21-9-8-17(33-34-21)5-1-2-7-24-35-36-25(41-24)32-23(39)14-18-6-3-4-10-30-18/h3-4,6,8-12,15,37H,1-2,5,7,13-14H2,(H,31,34,38)(H,32,36,39)
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n/an/a 13n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500319
PNG
(CHEMBL3746179)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)-c1nnn[nH]1
Show InChI InChI=1S/C24H23N9/c1-15-12-18-17(23-29-31-32-30-23)8-5-9-21(18)33(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,26,27,28)(H,29,30,31,32)
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n/an/a 15n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383201
PNG
(US10278968, Compound 729 | US10793535, Cmpd ID 729)
Show SMILES COc1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N7O4S/c1-40-20-12-17(13-21(16-20)41-27(28,29)30)14-23(38)32-22-10-9-18(34-35-22)6-2-3-8-25-36-37-26(42-25)33-24(39)15-19-7-4-5-11-31-19/h4-5,7,9-13,16H,2-3,6,8,14-15H2,1H3,(H,32,35,38)(H,33,37,39)
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n/an/a 16n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383193
PNG
(US10278968, Compound 721 | US10793535, Cmpd ID 721)
Show SMILES FC(F)(F)Oc1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)ccc1Cl
Show InChI InChI=1S/C26H23ClF3N7O3S/c27-19-10-8-16(13-20(19)40-26(28,29)30)14-22(38)32-21-11-9-17(34-35-21)5-1-2-7-24-36-37-25(41-24)33-23(39)15-18-6-3-4-12-31-18/h3-4,6,8-13H,1-2,5,7,14-15H2,(H,32,35,38)(H,33,37,39)
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n/an/a 16n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383192
PNG
(US10278968, Compound 720 | US10793535, Cmpd ID 720)
Show SMILES Fc1ccc(OC(F)(F)F)cc1CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
Show InChI InChI=1S/C26H23F4N7O3S/c27-20-10-9-19(40-26(28,29)30)13-16(20)14-22(38)32-21-11-8-17(34-35-21)5-1-2-7-24-36-37-25(41-24)33-23(39)15-18-6-3-4-12-31-18/h3-4,6,8-13H,1-2,5,7,14-15H2,(H,32,35,38)(H,33,37,39)
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n/an/a 20n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277779
PNG
(CHEMBL484003 | N-((S)-3-methoxy-1-((S)-3-methoxy-1...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C25H32N4O8/c1-15-10-18(29-37-15)22(31)27-20(13-35-4)24(33)28-19(12-34-3)23(32)26-17(21(30)25(2)14-36-25)11-16-8-6-5-7-9-16/h5-10,17,19-20H,11-14H2,1-4H3,(H,26,32)(H,27,31)(H,28,33)/t17-,19-,20-,25+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277815
PNG
(3-methoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C22H34N4O9/c1-12(2)7-13(18(27)22(3)11-34-22)23-19(28)14(9-31-4)24-20(29)15(10-32-5)25-21(30)16-8-17(33-6)26-35-16/h8,12-15H,7,9-11H2,1-6H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-,22+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
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n/an/a 23n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500347
PNG
(CHEMBL3747049)
Show SMILES Cc1cc2c(cccc2n1-c1nc2COCCc2c(NCc2ccccc2)n1)C(N)=O
Show InChI InChI=1S/C24H23N5O2/c1-15-12-19-17(22(25)30)8-5-9-21(19)29(15)24-27-20-14-31-11-10-18(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
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n/an/a 23n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383194
PNG
(US10278968, Compound 722 | US10793535, Cmpd ID 722)
Show SMILES COc1ccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)cc1OC(F)(F)F
Show InChI InChI=1S/C27H26F3N7O4S/c1-40-20-11-9-17(14-21(20)41-27(28,29)30)15-23(38)32-22-12-10-18(34-35-22)6-2-3-8-25-36-37-26(42-25)33-24(39)16-19-7-4-5-13-31-19/h4-5,7,9-14H,2-3,6,8,15-16H2,1H3,(H,32,35,38)(H,33,37,39)
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n/an/a 24n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383190
PNG
(US10278968, Compound 718 | US10793535, Cmpd ID 718)
Show SMILES Oc1ccc(OC(F)(F)F)cc1CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
Show InChI InChI=1S/C26H24F3N7O4S/c27-26(28,29)40-19-9-10-20(37)16(13-19)14-22(38)31-21-11-8-17(33-34-21)5-1-2-7-24-35-36-25(41-24)32-23(39)15-18-6-3-4-12-30-18/h3-4,6,8-13,37H,1-2,5,7,14-15H2,(H,31,34,38)(H,32,36,39)
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n/an/a 26n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383191
PNG
(US10278968, Compound 719 | US10793535, Cmpd ID 719)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)cc1OC(F)(F)F
Show InChI InChI=1S/C26H23F4N7O3S/c27-19-10-8-16(13-20(19)40-26(28,29)30)14-22(38)32-21-11-9-17(34-35-21)5-1-2-7-24-36-37-25(41-24)33-23(39)15-18-6-3-4-12-31-18/h3-4,6,8-13H,1-2,5,7,14-15H2,(H,32,35,38)(H,33,37,39)
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n/an/a 33n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383189
PNG
(US10278968, Compound 717 | US10793535, Cmpd ID 717)
Show SMILES COc1ccc(OC(F)(F)F)cc1CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1
Show InChI InChI=1S/C27H26F3N7O4S/c1-40-21-11-10-20(41-27(28,29)30)14-17(21)15-23(38)32-22-12-9-18(34-35-22)6-2-3-8-25-36-37-26(42-25)33-24(39)16-19-7-4-5-13-31-19/h4-5,7,9-14H,2-3,6,8,15-16H2,1H3,(H,32,35,38)(H,33,37,39)
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n/an/a 34n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277816
PNG
(3-methoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(OC)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C25H32N4O9/c1-25(14-37-25)21(30)16(10-15-8-6-5-7-9-15)26-22(31)17(12-34-2)27-23(32)18(13-35-3)28-24(33)19-11-20(36-4)29-38-19/h5-9,11,16-18H,10,12-14H2,1-4H3,(H,26,31)(H,27,32)(H,28,33)/t16-,17-,18-,25+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500310
PNG
(CHEMBL3747647)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(N)=O
Show InChI InChI=1S/C24H24N6O/c1-15-12-18-17(22(25)31)8-5-9-21(18)30(15)24-28-20-10-11-26-14-19(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29)
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n/an/a 40n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277780
PNG
(5-ethoxy-N-((S)-3-methoxy-1-((S)-3-methoxy-1-((S)-...)
Show SMILES CCOc1cc(no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C23H36N4O9/c1-7-34-18-9-15(27-36-18)20(29)25-17(11-33-6)22(31)26-16(10-32-5)21(30)24-14(8-13(2)3)19(28)23(4)12-35-23/h9,13-14,16-17H,7-8,10-12H2,1-6H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16-,17-,23+/m0/s1
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Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383195
PNG
(US10278968, Compound 723 | US10793535, Cmpd ID 723)
Show SMILES Oc1ccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)cc1OC(F)(F)F
Show InChI InChI=1S/C26H24F3N7O4S/c27-26(28,29)40-20-13-16(8-10-19(20)37)14-22(38)31-21-11-9-17(33-34-21)5-1-2-7-24-35-36-25(41-24)32-23(39)15-18-6-3-4-12-30-18/h3-4,6,8-13,37H,1-2,5,7,14-15H2,(H,31,34,38)(H,32,36,39)
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n/an/a 42n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163143
PNG
(US9062026, Table III, Compound 71)
Show SMILES COc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C24H24N4O/c1-29-22-15-18-11-5-8-14-21(18)28(22)24-26-20-13-7-6-12-19(20)23(27-24)25-16-17-9-3-2-4-10-17/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163134
PNG
(US9062026, Table III, Compound 62)
Show SMILES Cc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C24H24N4/c1-17-15-19-11-5-8-14-22(19)28(17)24-26-21-13-7-6-12-20(21)23(27-24)25-16-18-9-3-2-4-10-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3,(H,25,26,27)
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n/an/a 47n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383197
PNG
(US10278968, Compound 725 | US10793535, Cmpd ID 725)
Show SMILES Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)s2)n1
Show InChI InChI=1S/C26H25F3N8O3S/c27-26(28,29)40-19-8-3-5-16(13-19)14-22(38)32-21-12-11-17(34-35-21)6-1-2-10-24-36-37-25(41-24)33-23(39)15-18-7-4-9-20(30)31-18/h3-5,7-9,11-13H,1-2,6,10,14-15H2,(H2,30,31)(H,32,35,38)(H,33,37,39)
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n/an/a 50n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163144
PNG
(US9062026, Table III, Compound 72)
Show SMILES OCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C24H24N4O/c29-16-19-14-18-10-4-7-13-22(18)28(19)24-26-21-12-6-5-11-20(21)23(27-24)25-15-17-8-2-1-3-9-17/h1-4,7-10,13-14,29H,5-6,11-12,15-16H2,(H,25,26,27)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500321
PNG
(CHEMBL3745888)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CNCCc2c(NCc2ccccc2)n1)C(N)=O
Show InChI InChI=1S/C24H24N6O/c1-15-12-19-17(22(25)31)8-5-9-21(19)30(15)24-28-20-14-26-11-10-18(20)23(29-24)27-13-16-6-3-2-4-7-16/h2-9,12,26H,10-11,13-14H2,1H3,(H2,25,31)(H,27,28,29)
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n/an/a 71n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500323
PNG
(CHEMBL3746353)
Show SMILES COc1nc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C23H23N5O/c1-29-23-26-19-13-7-8-14-20(19)28(23)22-25-18-12-6-5-11-17(18)21(27-22)24-15-16-9-3-2-4-10-16/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,25,27)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277818
PNG
(2-Me-5-thiazole-Ser(OMe)-Ser(OMe)-Phe-ketoepoxide ...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cnc(C)o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C25H32N4O8/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277778
PNG
(CHEMBL484002 | N-((S)-3-methoxy-1-((S)-3-methoxy-1...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1ccon1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C24H30N4O8/c1-24(14-35-24)20(29)17(11-15-7-5-4-6-8-15)25-22(31)18(12-33-2)27-23(32)19(13-34-3)26-21(30)16-9-10-36-28-16/h4-10,17-19H,11-14H2,1-3H3,(H,25,31)(H,26,30)(H,27,32)/t17-,18-,19-,24+/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500318
PNG
(CHEMBL3746650)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C24H23N5O2/c1-15-12-18-17(23(30)31)8-5-9-21(18)29(15)24-27-20-10-11-25-14-19(20)22(28-24)26-13-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3,(H,30,31)(H,26,27,28)
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n/an/a 95n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500339
PNG
(CHEMBL3747498)
Show SMILES Cc1nc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C23H23N5/c1-16-25-20-13-7-8-14-21(20)28(16)23-26-19-12-6-5-11-18(19)22(27-23)24-15-17-9-3-2-4-10-17/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,24,26,27)
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n/an/a 98n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383196
PNG
(US10278968, Compound 724 | US10793535, Cmpd ID 724)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)s2)n1
Show InChI InChI=1S/C31H33F3N8O5S/c1-30(2,3)47-29(45)37-23-12-7-10-21(35-23)18-26(44)38-28-42-41-27(48-28)13-5-4-9-20-14-15-24(40-39-20)36-25(43)17-19-8-6-11-22(16-19)46-31(32,33)34/h6-8,10-12,14-16H,4-5,9,13,17-18H2,1-3H3,(H,35,37,45)(H,36,40,43)(H,38,42,44)
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n/an/a 140n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500316
PNG
(CHEMBL3746000)
Show SMILES Cc1cc2c(cccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1)C#N
Show InChI InChI=1S/C24H22N6/c1-16-12-19-18(13-25)8-5-9-22(19)30(16)24-28-21-10-11-26-15-20(21)23(29-24)27-14-17-6-3-2-4-7-17/h2-9,12,26H,10-11,14-15H2,1H3,(H,27,28,29)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163082
PNG
(US9062026, Table III, Compound 10)
Show SMILES COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
Show InChI InChI=1S/C24H21N5O2/c1-30-20-14-8-11-17-21(20)27-23(28-22(17)25-15-16-9-4-3-5-10-16)29-19-13-7-6-12-18(19)26-24(29)31-2/h3-14H,15H2,1-2H3,(H,25,27,28)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500337
PNG
(CHEMBL3747075)
Show SMILES Cc1[nH]c2ccccc2c1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C24H24N4/c1-16-22(18-11-5-7-13-20(18)26-16)24-27-21-14-8-6-12-19(21)23(28-24)25-15-17-9-3-2-4-10-17/h2-5,7,9-11,13,26H,6,8,12,14-15H2,1H3,(H,25,27,28)
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n/an/a 149n/an/an/an/an/an/a



Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163080
PNG
(US9062026, Table III, Compound 8)
Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C24H21N5O/c1-16-26-19-12-6-7-13-20(19)29(16)24-27-22-18(11-8-14-21(22)30-2)23(28-24)25-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3,(H,25,27,28)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163136
PNG
(US9062026, Table III, Compound 64 | US9062026, Tab...)
Show SMILES NCc1cc2ccccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C24H25N5/c25-15-19-14-18-10-4-7-13-22(18)29(19)24-27-21-12-6-5-11-20(21)23(28-24)26-16-17-8-2-1-3-9-17/h1-4,7-10,13-14H,5-6,11-12,15-16,25H2,(H,26,27,28)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163092
PNG
(US9062026, Table III, Compound 20)
Show SMILES COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ncsc2n1
Show InChI InChI=1S/C20H16N6OS/c1-27-20-23-14-9-5-6-10-15(14)26(20)19-24-17(16-18(25-19)28-12-22-16)21-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,24,25)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))		BDBM383188
PNG
(US10278968, Compound 715 | US10793535, Cmpd ID 715)
Show SMILES OC(C(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1)c1ccccc1
Show InChI InChI=1S/C25H25N7O3S/c33-21(16-19-11-6-7-15-26-19)28-25-32-31-22(36-25)12-5-4-10-18-13-14-20(30-29-18)27-24(35)23(34)17-8-2-1-3-9-17/h1-3,6-9,11,13-15,23,34H,4-5,10,12,16H2,(H,27,30,35)(H,28,32,33)
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n/an/a 190n/an/an/an/an/an/a



National Taiwan University



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...

J Med Chem 51: 5594-607 (2008)


BindingDB Entry DOI: 10.7270/Q27P91QX
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163115
PNG
(US9062026, Table III, Compound 43)
Show SMILES Cc1cc2ccccc2n1-c1nc2CCNCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C23H23N5/c1-16-13-18-9-5-6-10-21(18)28(16)23-26-20-11-12-24-15-19(20)22(27-23)25-14-17-7-3-2-4-8-17/h2-10,13,24H,11-12,14-15H2,1H3,(H,25,26,27)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))		BDBM50264457
PNG
(CHEMBL4080490)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
Show InChI InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
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University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated ...

J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))		BDBM50264417
PNG
(CHEMBL4104719)
Show SMILES O=C(NCc1ccncc1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccncc3)cccc2c1
Show InChI InChI=1S/C32H24N6O2S2/c39-31(37-17-21-7-11-33-12-8-21)25-15-23-3-1-5-27(29(23)35-19-25)41-42-28-6-2-4-24-16-26(20-36-30(24)28)32(40)38-18-22-9-13-34-14-10-22/h1-16,19-20H,17-18H2,(H,37,39)(H,38,40)
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n/an/a 200n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated ...

J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))		BDBM50264415
PNG
(CHEMBL4096289)
Show SMILES COc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(OC)cc4)cccc3c2)cc1
Show InChI InChI=1S/C36H30N4O4S2/c1-43-29-13-9-23(10-14-29)19-39-35(41)27-17-25-5-3-7-31(33(25)37-21-27)45-46-32-8-4-6-26-18-28(22-38-34(26)32)36(42)40-20-24-11-15-30(44-2)16-12-24/h3-18,21-22H,19-20H2,1-2H3,(H,39,41)(H,40,42)
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University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated ...

J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
STAM-binding protein


(Homo sapiens (Human))		BDBM50264455
PNG
(CHEMBL4060337)
Show SMILES O=C(NCc1ccc2OCOc2c1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccc4OCOc4c3)cccc2c1
Show InChI InChI=1S/C36H26N4O6S2/c41-35(39-15-21-7-9-27-29(11-21)45-19-43-27)25-13-23-3-1-5-31(33(23)37-17-25)47-48-32-6-2-4-24-14-26(18-38-34(24)32)36(42)40-16-22-8-10-28-30(12-22)46-20-44-28/h1-14,17-18H,15-16,19-20H2,(H,39,41)(H,40,42)
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University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of AMSH (unknown origin) using DiUbK63TAMRA as substrate by fluorescence assay

J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM50500320
PNG
(CHEMBL3747639)
Show SMILES CNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCNCc2c(NCc2ccccc2)n1
Show InChI InChI=1S/C25H26N6O/c1-16-13-19-18(24(32)26-2)9-6-10-22(19)31(16)25-29-21-11-12-27-15-20(21)23(30-25)28-14-17-7-4-3-5-8-17/h3-10,13,27H,11-12,14-15H2,1-2H3,(H,26,32)(H,28,29,30)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163098
PNG
(US9062026, Table III, Compound 26)
Show SMILES COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(nc2ccccc12)N(C)C
Show InChI InChI=1S/C25H24N6O/c1-30(2)25-27-19-13-7-8-14-20(19)31(25)24-28-22-18(12-9-15-21(22)32-3)23(29-24)26-16-17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,26,28,29)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Transitional endoplasmic reticulum ATPase


(Homo sapiens (Human))		BDBM163097
PNG
(US9062026, Table III, Compound 25)
Show SMILES CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1
Show InChI InChI=1S/C24H22N6O/c1-25-23-27-18-12-6-7-13-19(18)30(23)24-28-21-17(11-8-14-20(21)31-2)22(29-24)26-15-16-9-4-3-5-10-16/h3-14H,15H2,1-2H3,(H,25,27)(H,26,28,29)
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Cleave Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay

J Med Chem 58: 9480-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01346
BindingDB Entry DOI: 10.7270/Q2KW5K2P
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))		BDBM50277733
PNG
((2S)-3-methoxy-2-[(2S)-3-methoxy-2-[(5-methyl-1,2-...)
Show SMILES COC[C@H](NC(=O)[C@H](COC)NC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r|
Show InChI InChI=1S/C22H34N4O8/c1-12(2)7-14(18(27)22(4)11-33-22)23-20(29)16(9-31-5)25-21(30)17(10-32-6)24-19(28)15-8-13(3)34-26-15/h8,12,14,16-17H,7,9-11H2,1-6H3,(H,23,29)(H,24,28)(H,25,30)/t14-,16-,17-,22+/m0/s1
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n/an/a 238n/an/an/an/an/an/a



Proteolix, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA

J Med Chem 52: 3028-38 (2009)


Article DOI: 10.1021/jm801329v
BindingDB Entry DOI: 10.7270/Q2ZW1KS0
More data for this
Ligand-Target Pair
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