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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50330794   
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
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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PubMed
n/an/a 90n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase


Bioorg Med Chem 22: 6193-200 (2014)


Article DOI: 10.1016/j.bmc.2014.08.027
BindingDB Entry DOI: 10.7270/Q2DV1MG2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 15 mins


Bioorg Med Chem 18: 8112-8 (2010)


Article DOI: 10.1016/j.bmc.2010.08.056
BindingDB Entry DOI: 10.7270/Q2JH3MF5
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 90n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Osaka Organic Chemical Industry, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) pancrease carboxypeptidase A after 15 min


Biol Pharm Bull 26: 1487-90 (2003)


Article DOI: 10.1248/bpb.26.1487
BindingDB Entry DOI: 10.7270/Q2G163RP
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
KEGG

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n/an/a 8.98E+3n/an/an/an/an/an/a



Institute for Theoretical Medicine, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry


Bioorg Med Chem 22: 6193-200 (2014)


Article DOI: 10.1016/j.bmc.2014.08.027
BindingDB Entry DOI: 10.7270/Q2DV1MG2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
KEGG

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Article
PubMed
n/an/a 8.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
KEGG

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Article
PubMed
n/an/a 8.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Collagenase ColG


(Clostridium histolyticum)
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Osaka Organic Chemical Industry, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase after 15 min


Biol Pharm Bull 26: 1487-90 (2003)


Article DOI: 10.1248/bpb.26.1487
BindingDB Entry DOI: 10.7270/Q2G163RP
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Osaka Organic Chemical Industry, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 min


Biol Pharm Bull 26: 1487-90 (2003)


Article DOI: 10.1248/bpb.26.1487
BindingDB Entry DOI: 10.7270/Q2G163RP
More data for this
Ligand-Target Pair