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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 179.1
BDBM50332796
Purchase
Wt: 376.4
BDBM50432548
Purchase
Wt: 383.4
BDBM50010987
Wt: 220.2
BDBM50010991
Wt: 224.1
BDBM50010993
Wt: 218.2
BDBM50010995
Wt: 294.3
BDBM50010997
Wt: 227.1
BDBM50011001
Wt: 278.3
BDBM50011003
Wt: 244.2
BDBM50010986
Purchase
Wt: 383.4
BDBM50010988
Wt: 180.1
BDBM50010994
Wt: 247.1
BDBM50010996
Wt: 255.2
BDBM50010999
Wt: 255.2
BDBM50011002
Displayed 1 to 15 (of 56 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 21 hits in this display   
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
26S proteosome


(Homo sapiens)
BDBM50010993
PNG
(CHEMBL3265177)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nsc(=O)o1
Show InChI InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H
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420n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010988
PNG
(CHEMBL3259882)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1nsc(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-12(23)20-16(11-13-5-3-2-4-6-13)17(24)21-15-9-7-14(8-10-15)18-22-27-19(25)26-18/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
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520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010986
PNG
(CHEMBL2336253)
Show SMILES Cc1sc(cc1[N+]([O-])=O)-c1nsc(=O)o1
Show InChI InChI=1S/C7H4N2O4S2/c1-3-4(9(11)12)2-5(14-3)6-8-15-7(10)13-6/h2H,1H3
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760n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010995
PNG
(CHEMBL3265180)
Show SMILES O=c1oc(ns1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C10H6N2O2S/c13-10-14-9(12-15-10)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H
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1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010997
PNG
(CHEMBL3265182)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1nsc(=O)o1
Show InChI InChI=1S/C13H14N2O4S/c1-13(2,3)19-11(16)14-9-6-4-8(5-7-9)10-15-20-12(17)18-10/h4-7H,1-3H3,(H,14,16)
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1.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50011003
PNG
(CHEMBL3259879)
Show SMILES O=c1oc(ns1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C13H14N2O3S/c16-13-18-12(14-19-13)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9H2
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1.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010999
PNG
(CHEMBL3259876)
Show SMILES O=c1oc(ns1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H9NO2S/c16-14-17-13(15-18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
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1.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50011001
PNG
(CHEMBL3259877)
Show SMILES Oc1cc(cc(O)c1O)-c1nsc(=O)o1
Show InChI InChI=1S/C8H5NO5S/c10-4-1-3(2-5(11)6(4)12)7-9-15-8(13)14-7/h1-2,10-12H
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010996
PNG
(CHEMBL3265181)
Show SMILES FC(F)(F)c1ccccc1-c1nsc(=O)o1
Show InChI InChI=1S/C9H4F3NO2S/c10-9(11,12)6-4-2-1-3-5(6)7-13-16-8(14)15-7/h1-4H
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1.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010994
PNG
(CHEMBL3265178)
Show SMILES O=c1oc(ns1)-c1ccccn1
Show InChI InChI=1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-3-1-2-4-8-5/h1-4H
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010991
PNG
(CHEMBL3259884)
Show SMILES [N-]=[N+]=Nc1ccc(cc1)-c1nsc(=O)o1
Show InChI InChI=1S/C8H4N4O2S/c9-12-10-6-3-1-5(2-4-6)7-11-15-8(13)14-7/h1-4H
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010987
PNG
(CHEMBL3259880)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1nsc(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-12(23)20-16(11-13-5-3-2-4-6-13)17(24)21-15-9-7-14(8-10-15)18-22-27-19(25)26-18/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50011002
PNG
(CHEMBL3259878)
Show SMILES O=c1oc(ns1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C14H9NO2S/c16-14-17-13(15-18-14)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50332796
PNG
(5-phenyl-1,3,4-oxathiazol-2-one | CHEMBL1632533)
Show SMILES O=c1oc(ns1)-c1ccccc1
Show InChI InChI=1S/C8H5NO2S/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5H
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7.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 min...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens)
BDBM50010986
PNG
(CHEMBL2336253)
Show SMILES Cc1sc(cc1[N+]([O-])=O)-c1nsc(=O)o1
Show InChI InChI=1S/C7H4N2O4S2/c1-3-4(9(11)12)2-5(14-3)6-8-15-7(10)13-6/h2H,1H3
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Moffitt Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of proteasome beta5 subunit in human MDA-MB-468 cells using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 2 hrs...


J Med Chem 56: 3783-805 (2013)


Article DOI: 10.1021/jm400221d
BindingDB Entry DOI: 10.7270/Q2DN46D8
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of beta5 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
26S proteosome


(Homo sapiens)
BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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n/an/a>3.00E+3n/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
Triosephosphate isomerase, glycosomal


(Trypanosoma cruzi)
BDBM50332796
PNG
(5-phenyl-1,3,4-oxathiazol-2-one | CHEMBL1632533)
Show SMILES O=c1oc(ns1)-c1ccccc1
Show InChI InChI=1S/C8H5NO2S/c10-8-11-7(9-12-8)6-4-2-1-3-5-6/h1-5H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs


Eur J Med Chem 45: 5767-72 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.034
BindingDB Entry DOI: 10.7270/Q2QN6719
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50432548
PNG
(LACTACYSTIN)
Show SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis


Eur J Med Chem 98: 61-8 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.023
BindingDB Entry DOI: 10.7270/Q228099R
More data for this
Ligand-Target Pair
Proteasome subunit beta type-7


(Homo sapiens)
BDBM50010987
PNG
(CHEMBL3259880)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1nsc(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-12(23)20-16(11-13-5-3-2-4-6-13)17(24)21-15-9-7-14(8-10-15)18-22-27-19(25)26-18/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
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n/an/an/an/a 1.54E+4n/an/an/an/a


TBA

Assay Description
Inhibition of chymotrypsin-like activity of 26S proteasome in intact human Karpas 1106p cells assessed as substrate hydrolysis using Suc-LLVY-(D)-ami...


Citation and Details

Article DOI: 10.1021/ml400531d
BindingDB Entry DOI: 10.7270/Q2PZ5BCF
More data for this
Ligand-Target Pair