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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 242.2
BDBM81348
Purchase
Wt: 260.2
BDBM50133335
Wt: 284.3
BDBM50133337
Wt: 244.2
BDBM50133338
Wt: 277.3
BDBM50133341
Wt: 284.3
BDBM50133344
Wt: 244.2
BDBM50133347
Wt: 215.2
BDBM50133348
Wt: 201.2
BDBM50133349
Wt: 272.2
BDBM50133350
Wt: 272.2
BDBM50133352
Wt: 258.2
BDBM50133354
Wt: 260.2
BDBM50133331
Wt: 231.2
BDBM50133346
Wt: 267.2
BDBM50133329
Displayed 1 to 15 (of 53 total )  |  Next  |  Last  >>

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

Found 23 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
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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3.55E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133350
PNG
(8-methoxy-beta-lapachone | CHEMBL2036880)
Show SMILES COc1ccc2C3=C(CCC(C)(C)O3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H16O4/c1-16(2)7-6-11-13(17)14(18)12-8-9(19-3)4-5-10(12)15(11)20-16/h4-5,8H,6-7H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 970n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins


J Med Chem 56: 6352-70 (2013)


Article DOI: 10.1021/jm400568p
BindingDB Entry DOI: 10.7270/Q2N017ZB
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133331
PNG
(CHEMBL3632804)
Show SMILES CC1(C)CCC2=C(O1)c1ccc(F)cc1C(=O)C2=O
Show InChI InChI=1S/C15H13FO3/c1-15(2)6-5-10-12(17)13(18)11-7-8(16)3-4-9(11)14(10)19-15/h3-4,7H,5-6H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133347
PNG
(CHEMBL3634995)
Show SMILES CN(C)CCNC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C14H16N2O2/c1-16(2)8-7-15-12-9-13(17)14(18)11-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133329
PNG
(CHEMBL3632806)
Show SMILES CC1(C)CCC2=C(O1)c1ccc(cc1C(=O)C2=O)C#N
Show InChI InChI=1S/C16H13NO3/c1-16(2)6-5-11-13(18)14(19)12-7-9(8-17)3-4-10(12)15(11)20-16/h3-4,7H,5-6H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 1.69E+3n/an/an/an/a7.525



DePaul University



Assay Description
All assays were performed at 100 ÁL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...


Chem Biol Drug Des 86: 1049-54 (2015)


Article DOI: 10.1111/cbdd.12572
BindingDB Entry DOI: 10.7270/Q2XK8D9W
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/a37



Duke University Medical Center



Assay Description
In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...


Chem Biol 15: 969-78 (2008)


Article DOI: 10.1016/j.chembiol.2008.07.015
BindingDB Entry DOI: 10.7270/Q2DR2SZR
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133349
PNG
(CHEMBL3634993)
Show SMILES CN(C)C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C12H11NO2/c1-13(2)10-7-11(14)12(15)9-6-4-3-5-8(9)10/h3-7H,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133338
PNG
(CHEMBL3635003)
Show SMILES CNC(=O)CNC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H12N2O3/c1-14-12(17)7-15-10-6-11(16)13(18)9-5-3-2-4-8(9)10/h2-6,15H,7H2,1H3,(H,14,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133337
PNG
(CHEMBL3632799)
Show SMILES O=C(CNC1=CC(=O)C(=O)c2ccccc12)N1CCCC1
Show InChI InChI=1S/C16H16N2O3/c19-14-9-13(11-5-1-2-6-12(11)16(14)21)17-10-15(20)18-7-3-4-8-18/h1-2,5-6,9,17H,3-4,7-8,10H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133346
PNG
(CHEMBL3634996)
Show SMILES COCCNC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H13NO3/c1-17-7-6-14-11-8-12(15)13(16)10-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133352
PNG
(CHEMBL3632808)
Show SMILES COc1ccc2C(=O)C(=O)C3=C(OC(C)(C)CC3)c2c1
Show InChI InChI=1S/C16H16O4/c1-16(2)7-6-11-14(18)13(17)10-5-4-9(19-3)8-12(10)15(11)20-16/h4-5,8H,6-7H2,1-3H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133354
PNG
(CHEMBL3632809)
Show SMILES CC1(C)CCC2=C(O1)c1cc(O)ccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O4/c1-15(2)6-5-10-13(18)12(17)9-4-3-8(16)7-11(9)14(10)19-15/h3-4,7,16H,5-6H2,1-2H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133335
PNG
(CHEMBL3632801)
Show SMILES CC(C)=CCC1=C(O)C(=O)c2cc(F)ccc2C1=O
Show InChI InChI=1S/C15H13FO3/c1-8(2)3-5-11-13(17)10-6-4-9(16)7-12(10)15(19)14(11)18/h3-4,6-7,18H,5H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | R115 (Reactive Blue 2))
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133344
PNG
(CHEMBL3634998)
Show SMILES O=C1C=C(NCCCN2CCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C17H20N2O2/c20-16-12-15(13-6-1-2-7-14(13)17(16)21)18-8-5-11-19-9-3-4-10-19/h1-2,6-7,12,18H,3-5,8-11H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133348
PNG
(CHEMBL3634994)
Show SMILES CC(C)NC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H13NO2/c1-8(2)14-11-7-12(15)13(16)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50133341
PNG
(CHEMBL1966084)
Show SMILES O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO2/c20-17-12-16(14-8-4-5-9-15(14)18(17)21)19-11-10-13-6-2-1-3-7-13/h1-9,12,19H,10-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Basic Science (IBS)

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence ...


J Med Chem 58: 8491-502 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01415
BindingDB Entry DOI: 10.7270/Q2PZ5BN1
More data for this
Ligand-Target Pair