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Compile Data Set for Download or QSAR

Found 395 hits with Last Name = 'zhuang' and Initial = 'r'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 0.0350n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin)


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 0.0390n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 0.0860n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 0.131n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 2i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234966
PNG
(CHEMBL4061262)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C37H47ClN8O5/c1-37(2,3)24-42-32(47)21-30(44-36(51)46-19-15-26(16-20-46)33(48)45-31-23-39-17-18-40-31)35(50)43-29(14-13-25-9-5-4-6-10-25)34(49)41-22-27-11-7-8-12-28(27)38/h4-12,17-18,23,26,29-30H,13-16,19-22,24H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t29-,30-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1 |r,c:21|
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
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n/an/a 0.604n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 1c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 0.623n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 1i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50526811
PNG
(Kzr-616)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CCCC1)C(=O)[C@@]1(C)CO1 |t:33|
Show InChI InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
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n/an/a 0.688n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234983
PNG
(CHEMBL4104744)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C38H48ClN7O5/c1-38(2,3)25-42-33(47)22-32(45-37(51)46-20-17-27(18-21-46)34(48)43-29-13-9-19-40-24-29)36(50)44-31(16-15-26-10-5-4-6-11-26)35(49)41-23-28-12-7-8-14-30(28)39/h4-14,19,24,27,31-32H,15-18,20-23,25H2,1-3H3,(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,51)/t31-,32-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549204
PNG
(CHEMBL4747480)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234982
PNG
(CHEMBL4102324)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C36H46ClN7O5S/c1-36(2,3)23-40-30(45)21-29(42-35(49)44-18-15-25(16-19-44)31(46)43-34-38-17-20-50-34)33(48)41-28(14-13-24-9-5-4-6-10-24)32(47)39-22-26-11-7-8-12-27(26)37/h4-12,17,20,25,28-29H,13-16,18-19,21-23H2,1-3H3,(H,39,47)(H,40,45)(H,41,48)(H,42,49)(H,38,43,46)/t28-,29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549205
PNG
(CHEMBL4794118)
Show SMILES CC(C)(C)NC(=O)CC[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
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TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234978
PNG
(CHEMBL4064404)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C38H48ClN7O5/c1-38(2,3)25-42-33(47)23-31(44-37(51)46-21-18-27(19-22-46)34(48)45-32-15-9-10-20-40-32)36(50)43-30(17-16-26-11-5-4-6-12-26)35(49)41-24-28-13-7-8-14-29(28)39/h4-15,20,27,30-31H,16-19,21-25H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t30-,31-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234962
PNG
(CHEMBL4078056)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)NCc1nccs1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C37H48ClN7O5S/c1-37(2,3)24-42-31(46)21-30(44-36(50)45-18-15-26(16-19-45)33(47)41-23-32-39-17-20-51-32)35(49)43-29(14-13-25-9-5-4-6-10-25)34(48)40-22-27-11-7-8-12-28(27)38/h4-12,17,20,26,29-30H,13-16,18-19,21-24H2,1-3H3,(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,44,50)/t29-,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50329819
PNG
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 1i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20s immunoproteasome chymotrypsin-like activity in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of proteas...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234967
PNG
(CHEMBL4072652)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C37H47ClN8O5/c1-37(2,3)24-42-32(47)21-30(45-36(51)46-19-15-27(16-20-46)43-35(50)31-23-39-17-18-40-31)34(49)44-29(14-13-25-9-5-4-6-10-25)33(48)41-22-26-11-7-8-12-28(26)38/h4-12,17-18,23,27,29-30H,13-16,19-22,24H2,1-3H3,(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H,45,51)/t29-,30-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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TBA

Assay Description
Inhibition of 20S immunoproteasome beta 5i subunit in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of PA28alpha by fluor...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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TBA

Assay Description
Inhibition of constitutive 20S proteasome beta 5 subunit in human erythrocytes using Ac-WLA-AMC as substrate in presence of PA28alpha by fluorimetry ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234984
PNG
(CHEMBL3218837)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C34H37ClN6O5/c1-34(2,3)20-39-29(42)17-28(41-33(46)30(43)24-19-37-26-11-7-5-9-23(24)26)32(45)40-27(16-21-12-14-36-15-13-21)31(44)38-18-22-8-4-6-10-25(22)35/h4-15,19,27-28,37H,16-18,20H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t27-,28-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20s immunoproteasome chymotrypsin-like activity in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of proteas...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234981
PNG
(CHEMBL4078693)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C39H48ClFN6O5/c1-39(2,3)25-43-34(48)23-33(46-38(52)47-21-19-30(20-22-47)44-35(49)27-14-16-29(41)17-15-27)37(51)45-32(18-13-26-9-5-4-6-10-26)36(50)42-24-28-11-7-8-12-31(28)40/h4-12,14-17,30,32-33H,13,18-25H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)(H,45,51)(H,46,52)/t32-,33-/m0/s1
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Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 1.30n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50200507
PNG
(CHEMBL3890793)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C39H43ClN6O4/c40-33-16-8-7-14-31(33)26-42-37(48)34(19-17-28-10-3-1-4-11-28)44-38(49)35(20-18-29-12-5-2-6-13-29)45-39(50)46-24-21-30(22-25-46)36(47)43-32-15-9-23-41-27-32/h1-16,23,27,30,34-35H,17-22,24-26H2,(H,42,48)(H,43,47)(H,44,49)(H,45,50)/t34-,35-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549212
PNG
(CHEMBL4749316)
Show SMILES CC(C)(C)CNC(=O)CC[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
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TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234989
PNG
(CHEMBL4094582)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C39H48ClFN6O5/c1-39(2,3)25-43-34(48)23-33(46-38(52)47-21-19-27(20-22-47)35(49)44-30-16-14-29(41)15-17-30)37(51)45-32(18-13-26-9-5-4-6-10-26)36(50)42-24-28-11-7-8-12-31(28)40/h4-12,14-17,27,32-33H,13,18-25H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)(H,45,51)(H,46,52)/t32-,33-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50200514
PNG
(CHEMBL3918862)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1ccccn1 |r|
Show InChI InChI=1S/C39H43ClN6O4/c40-32-16-8-7-15-31(32)27-42-37(48)33(20-18-28-11-3-1-4-12-28)43-38(49)34(21-19-29-13-5-2-6-14-29)44-39(50)46-25-22-30(23-26-46)36(47)45-35-17-9-10-24-41-35/h1-17,24,30,33-34H,18-23,25-27H2,(H,42,48)(H,43,49)(H,44,50)(H,41,45,47)/t33-,34-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234976
PNG
(CHEMBL4099839)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C37H46ClN7O5/c1-37(2,3)24-42-32(46)21-30(44-33(47)26-15-19-45(20-16-26)36(50)31-23-39-17-18-40-31)35(49)43-29(14-13-25-9-5-4-6-10-25)34(48)41-22-27-11-7-8-12-28(27)38/h4-12,17-18,23,26,29-30H,13-16,19-22,24H2,1-3H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)/t29-,30-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234975
PNG
(CHEMBL4082676)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C39H47ClFN5O5/c1-39(2,3)25-43-34(47)23-33(45-35(48)27-19-21-46(22-20-27)38(51)28-14-16-30(41)17-15-28)37(50)44-32(18-13-26-9-5-4-6-10-26)36(49)42-24-29-11-7-8-12-31(29)40/h4-12,14-17,27,32-33H,13,18-25H2,1-3H3,(H,42,49)(H,43,47)(H,44,50)(H,45,48)/t32-,33-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549213
PNG
(CHEMBL4748075)
Show SMILES CC(C)(C)CNC(=O)CC[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
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TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 2.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 45 mins by ELISA


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234977
PNG
(CHEMBL4102973)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C38H48N8O7/c1-38(2,3)23-42-33(47)20-29(44-37(51)46-17-13-27(14-18-46)34(48)45-32-22-39-15-16-40-32)36(50)43-28(11-9-25-7-5-4-6-8-25)35(49)41-21-26-10-12-30-31(19-26)53-24-52-30/h4-8,10,12,15-16,19,22,27-29H,9,11,13-14,17-18,20-21,23-24H2,1-3H3,(H,41,49)(H,42,47)(H,43,50)(H,44,51)(H,40,45,48)/t28-,29-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50329819
PNG
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50200509
PNG
(CHEMBL3890040)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C40H44ClN5O4/c41-34-19-11-10-16-32(34)28-42-38(48)35(22-20-29-12-4-1-5-13-29)44-39(49)36(23-21-30-14-6-2-7-15-30)45-40(50)46-26-24-31(25-27-46)37(47)43-33-17-8-3-9-18-33/h1-19,31,35-36H,20-28H2,(H,42,48)(H,43,47)(H,44,49)(H,45,50)/t35-,36-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50329819
PNG
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-1


(Homo sapiens (Human))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 1c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.30n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50398608
PNG
(MARIZOMIB)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)[C@H]1CCCC=C1 |r,c:21|
Show InChI InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50234979
PNG
(CHEMBL4072186)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C38H46ClFN6O5/c1-38(2,3)25-42-33(47)23-32(44-37(51)46-21-19-45(20-22-46)36(50)27-14-16-29(40)17-15-27)35(49)43-31(18-13-26-9-5-4-6-10-26)34(48)41-24-28-11-7-8-12-30(28)39/h4-12,14-17,31-32H,13,18-25H2,1-3H3,(H,41,48)(H,42,47)(H,43,49)(H,44,51)/t31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by flu...


Eur J Med Chem 126: 1056-1070 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.034
BindingDB Entry DOI: 10.7270/Q2MK6G4X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 3.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Competitive inhibition of c-MET (unknown origin) in presence of ATP


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50516225
PNG
(CHEMBL4521524)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(ccc1F)-c1ccccc1F |r|
Show InChI InChI=1S/C30H34F2N4O5S/c1-19-9-12-21(13-10-19)42(40,41)36-26(18-27(37)35-30(2,3)4)29(39)34-16-15-33-28(38)23-17-20(11-14-25(23)32)22-7-5-6-8-24(22)31/h5-14,17,26,36H,15-16,18H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t26-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by cell based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549206
PNG
(CHEMBL4764304)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)NCc1ccccc1Cl |r|
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50200506
PNG
(CHEMBL3945664)
Show SMILES Clc1ccccc1CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C37H41ClN6O4S/c38-30-14-8-7-13-29(30)25-40-34(46)31(17-15-26-9-3-1-4-10-26)41-35(47)32(18-16-27-11-5-2-6-12-27)42-37(48)44-22-19-28(20-23-44)33(45)43-36-39-21-24-49-36/h1-14,21,24,28,31-32H,15-20,22-23,25H2,(H,40,46)(H,41,47)(H,42,48)(H,39,43,45)/t31-,32-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrat...


Bioorg Med Chem 24: 6206-6214 (2016)


Article DOI: 10.1016/j.bmc.2016.10.002
BindingDB Entry DOI: 10.7270/Q2K64M2T
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) by HTRF method


Bioorg Med Chem 25: 3195-3205 (2017)


Article DOI: 10.1016/j.bmc.2017.04.003
BindingDB Entry DOI: 10.7270/Q27P91JP
More data for this
Ligand-Target Pair
Proteasome subunit beta type-5


(Homo sapiens (Human))
BDBM50549208
PNG
(CHEMBL4794280)
Show SMILES CC(C)(C)CNC(=O)C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)NCc1ccccc1Cl |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by subs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115867
BindingDB Entry DOI: 10.7270/Q2XP78J1
More data for this
Ligand-Target Pair
Proteasome subunit beta type-8


(Homo sapiens (Human))
BDBM50526815
PNG
(CHEMBL4469397)
Show SMILES C[C@@H](CC(=O)NCc1cccc2ccccc12)NC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C30H38N4O5S/c1-20-13-15-24(16-14-20)40(38,39)34-26(18-28(36)33-30(3,4)5)29(37)32-21(2)17-27(35)31-19-23-11-8-10-22-9-6-7-12-25(22)23/h6-16,21,26,34H,17-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21-,26-/m0/s1
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UniProtKB/SwissProt

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n/an/a 5.5n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by cell based assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111646
BindingDB Entry DOI: 10.7270/Q2154MHB
More data for this
Ligand-Target Pair
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