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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Laccase'   
Target
(Institution)
LigandTarget
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
Laccase


(Trametes versicolor)
BDBM50357700
PNG
(PTILOMYCALIN A)
Show SMILES CC[C@H]1CCCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(N2)=[N+]34)O1
Show InChI InChI=1S/C45H82N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h36-39,41H,3-35,46-47H2,1-2H3,(H,48,49)/p+1/t36-,37+,38+,39-,41-,44+,45-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 100 uM epinephrine as substrate preincubated for 30 mins before ...


Citation and Details
More data for this
Ligand-Target Pair
Laccase


(Trametes versicolor)
BDBM50357700
PNG
(PTILOMYCALIN A)
Show SMILES CC[C@H]1CCCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(N2)=[N+]34)O1
Show InChI InChI=1S/C45H82N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h36-39,41H,3-35,46-47H2,1-2H3,(H,48,49)/p+1/t36-,37+,38+,39-,41-,44+,45-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 200 uM dopamine as substrate preincubated for 30 mins before sub...


Citation and Details
More data for this
Ligand-Target Pair
Laccase


(Trametes versicolor)
BDBM50357700
PNG
(PTILOMYCALIN A)
Show SMILES CC[C@H]1CCCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(N2)=[N+]34)O1
Show InChI InChI=1S/C45H82N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h36-39,41H,3-35,46-47H2,1-2H3,(H,48,49)/p+1/t36-,37+,38+,39-,41-,44+,45-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 300 uM L-dopa as substrate preincubated for 30 mins before subst...


Citation and Details
More data for this
Ligand-Target Pair
Laccase


(Trametes versicolor)
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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n/an/a 2.57E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 200 uM dopamine as substrate preincubated for 30 mins before sub...


Citation and Details
More data for this
Ligand-Target Pair
Laccase


(Trametes versicolor)
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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PubMed
n/an/a 2.63E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 100 uM epinephrine as substrate preincubated for 30 mins before ...


Citation and Details
More data for this
Ligand-Target Pair
Laccase


(Trametes versicolor)
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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Article
PubMed
n/an/a 2.79E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 300 uM L-dopa as substrate preincubated for 30 mins before subst...


Citation and Details
More data for this
Ligand-Target Pair