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BDBM50134710 CHEMBL3745886

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]

InChI Key: InChIKey=APRUHIYSPZMKAG-VIZOYTHASA-N

Data: 3 KI  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 5 hits for monomerid = 50134710   
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
151n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Bur...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.64E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and ...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated with substrate for 10 mins followed by protein...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50134710
PNG
(CHEMBL3745886)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addit...


Bioorg Med Chem 24: 153-9 (2016)


BindingDB Entry DOI: 10.7270/Q2RN39PT
More data for this
Ligand-Target Pair