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BDBM355978 1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-yl)-3-(2- chloro-7-((S)-1-(((S)- tetrahydrofuran-3- yl)methoxy)ethyl)pyra- zolo[1,5- a]pyrimidin-6-yl)urea::US10442808, Example 102::US9815842, Example 102

SMILES: C[C@H](OC[C@H]1CCOC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12

InChI Key: InChIKey=SLGQBSGQAMGPFC-STQMWFEESA-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 = 355978   
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))
BDBM355978
PNG
(1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES C[C@H](OC[C@H]1CCOC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C21H21Cl2N9O3/c1-12(35-11-13-2-5-34-10-13)19-16(9-24-18-7-17(23)30-31(18)19)29-21(33)28-14-6-15(22)20(25-8-14)32-26-3-4-27-32/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H2,28,29,33)/t12-,13-/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))
BDBM355978
PNG
(1-(5-chloro-6-(2H- 1,2,3-triazol-2- yl)pyridin-3-y...)
Show SMILES C[C@H](OC[C@H]1CCOC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C21H21Cl2N9O3/c1-12(35-11-13-2-5-34-10-13)19-16(9-24-18-7-17(23)30-31(18)19)29-21(33)28-14-6-15(22)20(25-8-14)32-26-3-4-27-32/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H2,28,29,33)/t12-,13-/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