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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mucosa-associated lymphoid tissue lymphoma translocation protein 1' and Ligand = 'BDBM355878'   
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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM355878
PNG
((S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]p...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
IC50 values of test compounds were determined with an enzyme activity assay using the C-domain of MALT1 (amino acids 329-824). The readout parameter ...


US Patent US9815842 (2017)


BindingDB Entry DOI: 10.7270/Q24F1T0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM355878
PNG
((S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]p...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM355878
PNG
((S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]p...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 in PMA-stimulated human Jurkat T cells assessed as reduction in IL2 level pretreated for 30 mins followed by PMA-stimulation meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM355878
PNG
((S)-1-(2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]p...)
Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MALT1 in human whole blood assessed as reduction in PMA//anti-CD28 antibody-induced IL2 level pre-incubated for 1 hrs before stimulatio...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01246
BindingDB Entry DOI: 10.7270/Q2DZ0CZ3
More data for this
Ligand-Target Pair