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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.8
BDBM50177222

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM50177222
PNG
(CHEMBL3814883)
Show SMILES COCCOc1nc(-c2ccc(OC)c(OC)c2)n(n1)-c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C21H23ClN4O5/c1-28-10-11-31-21-24-20(14-4-9-17(29-2)18(12-14)30-3)26(25-21)16-7-5-15(6-8-16)23-19(27)13-22/h4-9,12H,10-11,13H2,1-3H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Malt1 (unknown origin) at 10 to 1000 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyph...


Bioorg Med Chem 24: 3312-29 (2016)


Article DOI: 10.1016/j.bmc.2016.03.035
BindingDB Entry DOI: 10.7270/Q21G0P58
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50177222
PNG
(CHEMBL3814883)
Show SMILES COCCOc1nc(-c2ccc(OC)c(OC)c2)n(n1)-c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C21H23ClN4O5/c1-28-10-11-31-21-24-20(14-4-9-17(29-2)18(12-14)30-3)26(25-21)16-7-5-15(6-8-16)23-19(27)13-22/h4-9,12H,10-11,13H2,1-3H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Malt1 (unknown origin) at 10 to 1000 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyph...


Bioorg Med Chem 24: 3312-29 (2016)


Article DOI: 10.1016/j.bmc.2016.03.035
BindingDB Entry DOI: 10.7270/Q21G0P58
More data for this
Ligand-Target Pair