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SMILES: CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF

InChI Key: InChIKey=NRELOTVFKVYKOS-IRFCIJBXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 453044   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM453044
PNG
(US10711036, Compound 103)
Show SMILES CC(C)(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/C26H39FN6O5/c1-26(2,3)21(32-25(37)38-16-17-9-5-4-6-10-17)23(36)33-14-8-12-19(33)22(35)31-18(20(34)15-27)11-7-13-30-24(28)29/h4-6,9-10,18-19,21H,7-8,11-16H2,1-3H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
43n/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)

More data for this
Ligand-Target Pair