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Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'arisawa' and Initial = 'm'   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318106
PNG
((1S,2R)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318103
PNG
((1R,2S)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m0/s1
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19.8n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50310163
PNG
((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1
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38.7n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylahistamine from human histamine H3 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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51.1n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318105
PNG
((1S,2R)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m1/s1
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63n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318104
PNG
((1R,2S)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1
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129n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50310163
PNG
((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1
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148n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50310164
PNG
((1R,2R)-2-(4-Chlorobenzylamino)methyl-1-(5(4)-meth...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CNCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3/c1-10-15(19-9-18-10)14-6-12(14)8-17-7-11-2-4-13(16)5-3-11/h2-5,9,12,14,17H,6-8H2,1H3,(H,18,19)/t12-,14+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50310164
PNG
((1R,2R)-2-(4-Chlorobenzylamino)methyl-1-(5(4)-meth...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CNCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN3/c1-10-15(19-9-18-10)14-6-12(14)8-17-7-11-2-4-13(16)5-3-11/h2-5,9,12,14,17H,6-8H2,1H3,(H,18,19)/t12-,14+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylahistamine from human histamine H3 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007199
PNG
(CHEMBL3237863)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)22-37(46)42-18-17-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007198
PNG
(CHEMBL3237862)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C39H56BN3O7/c1-26(2)17-35(40-49-34-19-31-18-33(38(31,4)5)39(34,6)50-40)43-37(46)32(42-27(3)44)20-36(45)41-21-30(24-47-22-28-13-9-7-10-14-28)25-48-23-29-15-11-8-12-16-29/h7-16,26,30-35H,17-25H2,1-6H3,(H,41,45)(H,42,44)(H,43,46)/t31-,32-,33-,34+,35-,39-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007196
PNG
(CHEMBL3237864)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)20-37(42-51-36-22-33-21-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)23-38(47)43-19-13-18-32(26-49-24-30-14-9-7-10-15-30)27-50-25-31-16-11-8-12-17-31/h7-12,14-17,28,32-37H,13,18-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(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
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 4.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007200
PNG
(CHEMBL3237873)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCCCOCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C32H50BN3O6/c1-21(2)16-28(33-41-27-18-24-17-26(31(24,4)5)32(27,6)42-33)36-30(39)25(35-22(3)37)19-29(38)34-14-10-11-15-40-20-23-12-8-7-9-13-23/h7-9,12-13,21,24-28H,10-11,14-20H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t24-,25-,26-,27+,28-,32-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by fluorometric assay


J Nat Prod 51: 357-359 (1988)


Article DOI: 10.1021/np50056a033
BindingDB Entry DOI: 10.7270/Q2XW4M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007193
PNG
(CHEMBL3237865)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)17-18-37(46)42-22-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007207
PNG
(CHEMBL3237860)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24-,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007207
PNG
(CHEMBL3237860)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24-,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430986
PNG
(CHEMBL2338312)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H41N3O6/c1-4-20(2)27-28(41-31(27)38)30(37)35-26-18-24(26)17-25(16-15-22-11-7-5-8-12-22)34-29(36)21(3)33-32(39)40-19-23-13-9-6-10-14-23/h5-14,20-21,24-28H,4,15-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,37)/t20-,21-,24+,25+,26-,27-,28+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007195
PNG
(CHEMBL3237866)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C41H60BN3O7/c1-28(2)21-37(42-51-36-23-33-22-35(40(33,4)5)41(36,6)52-42)45-39(48)34(44-29(3)46)17-18-38(47)43-20-19-32(26-49-24-30-13-9-7-10-14-30)27-50-25-31-15-11-8-12-16-31/h7-16,28,32-37H,17-27H2,1-6H3,(H,43,47)(H,44,46)(H,45,48)/t33-,34-,35-,36+,37-,41-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007202
PNG
(CHEMBL3237868)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C45H58BCl2N3O7/c1-29(2)20-40(46-57-39-22-33-21-38(44(33,3)4)45(39,5)58-46)51-43(54)37(50-42(53)35-23-34(47)16-17-36(35)48)24-41(52)49-19-18-32(27-55-25-30-12-8-6-9-13-30)28-56-26-31-14-10-7-11-15-31/h6-17,23,29,32-33,37-40H,18-22,24-28H2,1-5H3,(H,49,52)(H,50,53)(H,51,54)/t33-,37-,38-,39+,40-,45-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(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
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 7n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007201
PNG
(CHEMBL3237870)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cnccn1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C43H58BN5O7/c1-29(2)20-38(44-55-37-22-33-21-36(42(33,3)4)43(37,5)56-44)49-40(51)34(48-41(52)35-24-45-18-19-46-35)23-39(50)47-17-16-32(27-53-25-30-12-8-6-9-13-30)28-54-26-31-14-10-7-11-15-31/h6-15,18-19,24,29,32-34,36-38H,16-17,20-23,25-28H2,1-5H3,(H,47,50)(H,48,52)(H,49,51)/t33-,34-,36-,37+,38-,43-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007205
PNG
(CHEMBL3237871)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1cccc(n1)-c1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C50H63BN4O7/c1-34(2)26-45(51-61-44-28-39-27-43(49(39,3)4)50(44,5)62-51)55-48(58)42(54-47(57)41-23-15-22-40(53-41)38-20-13-8-14-21-38)29-46(56)52-25-24-37(32-59-30-35-16-9-6-10-17-35)33-60-31-36-18-11-7-12-19-36/h6-23,34,37,39,42-45H,24-33H2,1-5H3,(H,52,56)(H,54,57)(H,55,58)/t39-,42-,43-,44+,45-,50-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007209
PNG
(CHEMBL3237874)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B(O)O
Show InChI InChI=1S/C29H42BN3O7/c1-21(2)14-27(30(37)38)33-29(36)26(32-22(3)34)15-28(35)31-16-25(19-39-17-23-10-6-4-7-11-23)20-40-18-24-12-8-5-9-13-24/h4-13,21,25-27,37-38H,14-20H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t26-,27-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007197
PNG
(CHEMBL3237869)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C45H60BN3O7/c1-31(2)23-40(46-55-39-25-36-24-38(44(36,3)4)45(39,5)56-46)49-43(52)37(48-42(51)35-19-13-8-14-20-35)26-41(50)47-22-21-34(29-53-27-32-15-9-6-10-16-32)30-54-28-33-17-11-7-12-18-33/h6-20,31,34,36-40H,21-30H2,1-5H3,(H,47,50)(H,48,51)(H,49,52)/t36-,37-,38-,39+,40-,45-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50326129
PNG
(Indometacin)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-11-15(10-17(21)22)14-4-2-3-5-16(14)20(11)18(23)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX1


ACS Med Chem Lett 2: 353-357 (2011)


Article DOI: 10.1021/ml100292y
BindingDB Entry DOI: 10.7270/Q2XK8G0P
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430985
PNG
(CHEMBL2338319)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C35H41N3O5/c1-4-21(2)30-31(43-35(30)42)34(41)38-29-20-27(29)19-28(17-14-23-10-6-5-7-11-23)37-32(39)22(3)36-33(40)26-16-15-24-12-8-9-13-25(24)18-26/h5-13,15-16,18,21-22,27-31H,4,14,17,19-20H2,1-3H3,(H,36,40)(H,37,39)(H,38,41)/t21-,22-,27+,28+,29-,30-,31+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT1 activity in LCB1 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT2 activity in LCB2 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay


J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50326129
PNG
(Indometacin)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-11-15(10-17(21)22)14-4-2-3-5-16(14)20(11)18(23)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay


J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431011
PNG
(CHEMBL2331625)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H39N3O6/c1-4-19(2)26-27(40-30(26)37)29(36)34-25-17-23(25)16-24(15-21-11-7-5-8-12-21)33-28(35)20(3)32-31(38)39-18-22-13-9-6-10-14-22/h5-14,19-20,23-27H,4,15-18H2,1-3H3,(H,32,38)(H,33,35)(H,34,36)/t19-,20-,23+,24+,25-,26-,27+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430991
PNG
(CHEMBL2338308)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1)C=C
Show InChI InChI=1S/C29H35N3O5/c1-5-16(3)24-25(37-29(24)36)28(35)32-23-15-21(23)14-22(6-2)31-26(33)17(4)30-27(34)20-12-11-18-9-7-8-10-19(18)13-20/h6-13,16-17,21-25H,2,5,14-15H2,1,3-4H3,(H,30,34)(H,31,33)(H,32,35)/t16-,17-,21+,22+,23-,24-,25+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431010
PNG
(CHEMBL2337887)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C=C
Show InChI InChI=1S/C34H40N4O6/c1-4-20(3)29-30(44-33(29)41)32(40)37-27-16-22(27)15-24(5-2)36-31(39)28(17-23-18-35-26-14-10-9-13-25(23)26)38-34(42)43-19-21-11-7-6-8-12-21/h5-14,18,20,22,24,27-30,35H,2,4,15-17,19H2,1,3H3,(H,36,39)(H,37,40)(H,38,42)/t20-,22+,24+,27-,28-,29-,30+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431009
PNG
(CHEMBL2338317)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccc2ccccc2c1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H43N3O6/c1-4-22(2)31-32(45-35(31)42)34(41)39-30-20-28(30)19-29(17-15-24-14-16-26-12-8-9-13-27(26)18-24)38-33(40)23(3)37-36(43)44-21-25-10-6-5-7-11-25/h5-14,16,18,22-23,28-32H,4,15,17,19-21H2,1-3H3,(H,37,43)(H,38,40)(H,39,41)/t22-,23-,28+,29+,30-,31-,32+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007208
PNG
(CHEMBL3237861)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)NCCC(COCc1ccccc1)COCc1ccccc1
Show InChI InChI=1S/C27H35NO5/c1-3-20(2)24-25(33-27(24)30)26(29)28-15-14-23(18-31-16-21-10-6-4-7-11-21)19-32-17-22-12-8-5-9-13-22/h4-13,20,23-25H,3,14-19H2,1-2H3,(H,28,29)/t20-,24-,25+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 22: 3091-5 (2014)


Article DOI: 10.1016/j.bmc.2014.04.032
BindingDB Entry DOI: 10.7270/Q26T0P6Q
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50292535
PNG
(5,7-Dihydroxy-2-(4-hydroxy-phenyl)-3,6-dimethoxy-c...)
Show SMILES COc1c(O)cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c1O
Show InChI InChI=1S/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50430988
PNG
(CHEMBL2337886)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=C
Show InChI InChI=1S/C32H39N3O6/c1-4-20(3)27-28(41-31(27)38)30(37)34-25-18-23(25)17-24(5-2)33-29(36)26(16-21-12-8-6-9-13-21)35-32(39)40-19-22-14-10-7-11-15-22/h5-15,20,23-28H,2,4,16-19H2,1,3H3,(H,33,36)(H,34,37)(H,35,39)/t20-,23+,24+,25-,26-,27-,28+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50007199
PNG
(CHEMBL3237863)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C40H58BN3O7/c1-27(2)19-36(41-50-35-21-32-20-34(39(32,4)5)40(35,6)51-41)44-38(47)33(43-28(3)45)22-37(46)42-18-17-31(25-48-23-29-13-9-7-10-14-29)26-49-24-30-15-11-8-12-16-30/h7-16,27,31-36H,17-26H2,1-6H3,(H,42,46)(H,43,45)(H,44,47)/t32-,33-,34-,35+,36-,40-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431008
PNG
(CHEMBL2338318)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCc1ccccc1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H36N2O4/c1-3-20(2)28-29(38-32(28)37)31(36)34-27-19-25(27)18-26(16-13-21-9-5-4-6-10-21)33-30(35)24-15-14-22-11-7-8-12-23(22)17-24/h4-12,14-15,17,20,25-29H,3,13,16,18-19H2,1-2H3,(H,33,35)(H,34,36)/t20-,25+,26+,27-,28-,29+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431007
PNG
(CHEMBL2338313)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@@H](CCCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O6/c1-4-21(2)28-29(42-32(28)39)31(38)36-27-19-25(27)18-26(17-11-16-23-12-7-5-8-13-23)35-30(37)22(3)34-33(40)41-20-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-29H,4,11,16-20H2,1-3H3,(H,34,40)(H,35,37)(H,36,38)/t21-,22-,25+,26+,27-,28-,29+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431006
PNG
(CHEMBL2338310)
Show SMILES CC[C@H](C[C@@H]1C[C@@H]1NC(=O)[C@@H]1OC(=O)[C@H]1[C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H37N3O6/c1-5-15(3)21-22(35-25(21)32)24(31)29-20-13-18(20)12-19(6-2)28-23(30)16(4)27-26(33)34-14-17-10-8-7-9-11-17/h7-11,15-16,18-22H,5-6,12-14H2,1-4H3,(H,27,33)(H,28,30)(H,29,31)/t15-,16-,18+,19+,20-,21-,22+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50431005
PNG
(CHEMBL2337884)
Show SMILES CC[C@H](C)[C@H]1[C@@H](OC1=O)C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C=C
Show InChI InChI=1S/C25H33N3O6/c1-4-15(3)21-22(34-24(21)31)23(30)28-19-12-17(19)11-18(5-2)27-20(29)13-26-25(32)33-14-16-9-7-6-8-10-16/h5-10,15,17-19,21-22H,2,4,11-14H2,1,3H3,(H,26,32)(H,27,29)(H,28,30)/t15-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay


J Med Chem 56: 3689-700 (2013)


Article DOI: 10.1021/jm4002296
BindingDB Entry DOI: 10.7270/Q25M673W
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens (Human))
BDBM50007206
PNG
(CHEMBL3237867)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)NCCCC(COCc1ccccc1)COCc1ccccc1)NC(C)=O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C42H62BN3O7/c1-29(2)22-38(43-52-37-24-34-23-36(41(34,4)5)42(37,6)53-43)46-40(49)35(45-30(3)47)19-20-39(48)44-21-13-18-33(27-50-25-31-14-9-7-10-15-31)28-51-26-32-16-11-8-12-17-32/h7-12,14-17,29,33-38H,13,18-28H2,1-6H3,(H,44,48)(H,45,47)(H,46,49)/t34-,35-,36-,37+,38-,42-/m0/s1
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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate


J Med Chem 57: 2726-35 (2014)


Article DOI: 10.1021/jm500045x
BindingDB Entry DOI: 10.7270/Q24M961D
More data for this
Ligand-Target Pair
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