BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'ban' and Initial = 'yj'   
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))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 2.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 2.80E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 4.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 4.30E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.60E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction ...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.70E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 8.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.50E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.16E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.23E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.24E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.27E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.49E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 1.50E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.52E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.54E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 2.05E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50084980
PNG
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)
Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.45E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 3.47E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 3.55E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.67E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis s...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.83E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50240348
PNG
((+)-dihydrokaempferol | (2R,3R)-3,5,7-trihydroxy-2...)
Show SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 4.20E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526630
PNG
(CHEMBL9353)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 7.34E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50609593
PNG
(CHEMBL5284640)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)C(C)(C)C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C1CC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 108n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50474471
PNG
(CHEMBL152133 | SK-7041)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H21N3O3/c1-22(2)17-10-8-16(9-11-17)19(24)20-13-15-5-3-14(4-6-15)7-12-18(23)21-25/h3-12,25H,13H2,1-2H3,(H,20,24)(H,21,23)/b12-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 172n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50474470
PNG
(CHEMBL152543 | SK-7068)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccc(cc2)N2CCCC2)cc1
Show InChI InChI=1S/C21H23N3O3/c25-20(23-27)12-7-16-3-5-17(6-4-16)15-22-21(26)18-8-10-19(11-9-18)24-13-1-2-14-24/h3-12,27H,1-2,13-15H2,(H,22,26)(H,23,25)/b12-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 205n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 233n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50474468
PNG
(CHEMBL346525)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C16H15N3O3/c20-15(19-22)8-7-12-3-5-13(6-4-12)10-18-16(21)14-2-1-9-17-11-14/h1-9,11,22H,10H2,(H,18,21)(H,19,20)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 371n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50474467
PNG
(CHEMBL152538)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccc(cc2)N2CCN(Cc3cccnc3)CC2)cc1
Show InChI InChI=1S/C27H29N5O3/c33-26(30-35)12-7-21-3-5-22(6-4-21)19-29-27(34)24-8-10-25(11-9-24)32-16-14-31(15-17-32)20-23-2-1-13-28-18-23/h1-13,18,35H,14-17,19-20H2,(H,29,34)(H,30,33)/b12-7+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50474469
PNG
(CHEMBL347068)
Show SMILES ONC(=O)\C=C\c1ccc(CNC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C16H15N3O3/c20-15(19-22)9-8-12-4-6-13(7-5-12)11-18-16(21)14-3-1-2-10-17-14/h1-10,22H,11H2,(H,18,21)(H,19,20)/b9-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 942n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526629
PNG
(ISOSILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



In2Gen Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells

J Med Chem 46: 5745-51 (2003)


Article DOI: 10.1021/jm030377q
BindingDB Entry DOI: 10.7270/Q2639SGQ
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526625
PNG
(CHEMBL4592595)
Show SMILES [H][C@]12CO[C@]3(O)C1C(=CC([C@@H]2c1ccc(O)c(OC)c1)C3=O)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r,c:8,TLB:21:20:7.8:10.1,11:10:7.8:20.4,THB:3:4:7.8:10.1,2:1:7.8:20.4|
Show InChI InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11?,13-,18+,20?,22+,23-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50061554
PNG
((+)-Silychristin | (2R,3R)-3,5,7-Trihydroxy-2-[(2R...)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(O)C2=O)[C@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,21,23-24,26-31H,9H2,1H3/t14-,21?,23+,24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526627
PNG
((-)-Silychristin | CHEMBL589325)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2c(cc(cc2O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@@H]1CO |r|
Show InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526628
PNG
(ISOSILYBIN B)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2ccc(cc2O[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50526626
PNG
(CHEMBL4076992)
Show SMILES COc1cc(ccc1O)[C@@H]1Oc2c(cc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H]1CO |r|
Show InChI InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3/t14-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectr...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50442881
PNG
(SILYBIN A)
Show SMILES COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,22,24-30H,10H2,1H3/t20-,22?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.21E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophoto...

Bioorg Med Chem 27: 2499-2507 (2019)


Article DOI: 10.1016/j.bmc.2019.03.013
BindingDB Entry DOI: 10.7270/Q2PV6PTR
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 64 total )  |  Next  |  Last  >>
Jump to: