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BDBM355973 (S)-1-(5-chloro-6- (difluoromethoxy)py- ridin-3-yl)-3-(2- chloro-7-(1-(2- methoxyethoxy)ethyl) pyrazolo[1,5- a]pyrimidin-6-yl)urea::US10442808, Example 97::US9815842, Example 97

SMILES: COCCO[C@@H](C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cc(Cl)nn12

InChI Key: InChIKey=SKNDRVRACOQTRZ-VIFPVBQESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 355973   
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 (MALT1)(aa 329-824)


(Homo sapiens (Human))
BDBM355973
PNG
((S)-1-(5-chloro-6- (difluoromethoxy)py- ridin-3-yl...)
Show SMILES COCCO[C@@H](C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H18Cl2F2N6O4/c1-9(31-4-3-30-2)15-12(8-23-14-6-13(20)27-28(14)15)26-18(29)25-10-5-11(19)16(24-7-10)32-17(21)22/h5-9,17H,3-4H2,1-2H3,(H2,25,26,29)/t9-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00300n/an/an/an/an/an/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))
BDBM355973
PNG
((S)-1-(5-chloro-6- (difluoromethoxy)py- ridin-3-yl...)
Show SMILES COCCO[C@@H](C)c1c(NC(=O)Nc2cnc(OC(F)F)c(Cl)c2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H18Cl2F2N6O4/c1-9(31-4-3-30-2)15-12(8-23-14-6-13(20)27-28(14)15)26-18(29)25-10-5-11(19)16(24-7-10)32-17(21)22/h5-9,17H,3-4H2,1-2H3,(H2,25,26,29)/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00300n/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