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BDBM50254431 5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl)-5''-(2,3-epoxy-3-methylbytyl)-2',4',3'',4''-tetrahydroxy diphenylpropane::CHEMBL469113

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]

InChI Key: InChIKey=YTBAFGRFSDPCBF-UHFFFAOYSA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50254431   
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))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
870n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase by kinetic based assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem
Article
PubMed
9.12E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem
Article
PubMed
1.56E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burk plot based kinetic assay


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50254431
PNG
(5'-(2-methylbut-3-en-2-yl)-6''-(3-methylbut-2-enyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#6]-[#6]-[#6]-c2cc(c(-[#8])cc2-[#8])C([#6])([#6])[#6]=[#6])cc(-[#8])c(-[#8])c1-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate


Bioorg Med Chem 17: 35-41 (2008)


Article DOI: 10.1016/j.bmc.2008.11.022
BindingDB Entry DOI: 10.7270/Q2GH9HTH
More data for this
Ligand-Target Pair