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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mucosa-associated lymphoid tissue lymphoma translocation protein 1' and Ligand = 'BDBM50510284'   
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))
BDBM50510284
PNG
(CHEMBL4461333 | US10711036, Compound 101)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r|
Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
40n/an/an/an/an/an/an/an/a



Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation

US Patent


Assay Description
For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...


US Patent US10711036 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JVH
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50510284
PNG
(CHEMBL4461333 | US10711036, Compound 101)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r|
Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 29: 1336-1339 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M
More data for this
Ligand-Target Pair