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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50008398   
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))
BDBM50518787
PNG
(CHEMBL4534670)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C(=O)CF |r|
Show InChI InChI=1S/C31H49FN10O6/c1-19(2)25(41-31(47)48-18-20-9-4-3-5-10-20)27(45)40-22(12-7-15-38-30(35)36)28(46)42-16-8-13-23(42)26(44)39-21(24(43)17-32)11-6-14-37-29(33)34/h3-5,9-10,19,21-23,25H,6-8,11-18H2,1-2H3,(H,39,44)(H,40,45)(H,41,47)(H4,33,34,37)(H4,35,36,38)/t21?,22-,23-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length human GST-tagged MALT1 isoform A (824 residues) expressed in Escherichia coli using Ac-LRSR-MCA as substrate after 1 hr by ...


J Nat Prod 82: 154-162 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00871
BindingDB Entry DOI: 10.7270/Q2QF8X8D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50518785
PNG
(CHEMBL4441858)
Show SMILES COC(=O)C1=CC(C)=COc2oc3cccc(O)c3c(=O)c12 |c:7,t:4|
Show InChI InChI=1S/C16H12O6/c1-8-6-9(15(19)20-2)12-14(18)13-10(17)4-3-5-11(13)22-16(12)21-7-8/h3-7,17H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length human GST-tagged MALT1 isoform A (824 residues) expressed in Escherichia coli using Ac-LRSR-MCA as substrate after 1 hr by ...


J Nat Prod 82: 154-162 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00871
BindingDB Entry DOI: 10.7270/Q2QF8X8D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50518786
PNG
(CHEMBL4575326)
Show SMILES COC(=O)C1=CC=COc2oc3cc(C)cc(O)c3c(=O)c12 |c:6,t:4|
Show InChI InChI=1S/C16H12O6/c1-8-6-10(17)13-11(7-8)22-16-12(14(13)18)9(15(19)20-2)4-3-5-21-16/h3-7,17H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.09E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of full-length human GST-tagged MALT1 isoform A (824 residues) expressed in Escherichia coli using Ac-LRSR-MCA as substrate after 1 hr by ...


J Nat Prod 82: 154-162 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00871
BindingDB Entry DOI: 10.7270/Q2QF8X8D
More data for this
Ligand-Target Pair