BDBM355974 1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-yl)-3-(2- chloro-7-((1R,2R)- 1,2- dimethoxypropyl)py- razolo[1,5- a]pyrimidin-6-yl)urea::US10442808, Example 98::US9815842, Example 98
SMILES: CO[C@H](C)[C@H](OC)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12
InChI Key: InChIKey=XKQLNDPUQSZBJW-QGHHPUGFSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1)(aa 329-824) (Homo sapiens (Human)) | BDBM355974 (1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG US Patent | Assay Description The assay employs a short peptide substrate labeled with the single fluorophore PT14 as a fluorescence lifetime probe sensitive to the cleavage state... | US Patent US10442808 (2019) BindingDB Entry DOI: 10.7270/Q2S75JQ3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MALT lymphoma-associated translocation (MALT1) (Homo sapiens (Human)) | BDBM355974 (1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |