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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'sugimoto' and Initial = 's'   
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
Proteasome assembly chaperone 3


(Homo sapiens (Human))
BDBM50316413
PNG
((S)-2-hydroxy-2-(((S,E)-4-(hydroxy((1R,2R,4aS,8aR)...)
Show SMILES CC(C)[C@@](O)(C[C@@H]1N(C)C(=O)C(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@@H]23)C1=O)C(O)=O |r,c:17|
Show InChI InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-18,30H,5-8,11H2,1-4H3,(H,28,29)/t13-,14+,15-,16+,17-,18?,23+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Biomedicinal Information Research Center (BIRC)

Curated by ChEMBL


Assay Description
Inhibition of PAC3 homodimerization by protein fragment complementation assay


J Nat Prod 73: 628-31 (2010)


Article DOI: 10.1021/np900788e
BindingDB Entry DOI: 10.7270/Q2M61KD2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524078
PNG
(CHEMBL4470963)
Show SMILES [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)[C@@H](C)CO |r|
Show InChI InChI=1S/C24H35NO8/c1-5-24(4)9-17(32-22(30)14(3)12-27)18-15(10-25-8-6-7-16(25)21(28)29)23(31)33-20(18)19(24)13(2)11-26/h5,14-20,26-27H,1-2,6-12H2,3-4H3,(H,28,29)/t14-,15-,16-,17-,18+,19+,20-,24+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50378582
PNG
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524079
PNG
(CHEMBL4550704)
Show SMILES C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H20O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-6-13(23)17-14(24)8-15(30-16(17)7-12)10-2-4-11(22)5-3-10/h2-9,18-23,25-27H,1H3/t9-,18-,19+,20+,21-/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251270
PNG
(CHEMBL464868 | apigenin-7-O-beta-D-glucuronide met...)
Show SMILES COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19+,20-,22+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524080
PNG
(TILIANINE | Tilianin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 |r|
Show InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524081
PNG
(CHEMBL4452110)
Show SMILES COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21-,23+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524082
PNG
(Arctiin | CHEBI:80793)
Show SMILES COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524083
PNG
(Acaciin | Linarin)
Show SMILES [H][C@@]1(OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(OC)cc3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524084
PNG
(CHEMBL4460139)
Show SMILES [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)C(\CO)=C\C |r|
Show InChI InChI=1S/C25H35NO8/c1-5-15(13-28)23(31)33-18-10-25(4,6-2)20(14(3)12-27)21-19(18)16(24(32)34-21)11-26-9-7-8-17(26)22(29)30/h5-6,16-21,27-28H,2-3,7-13H2,1,4H3,(H,29,30)/b15-5+/t16-,17-,18-,19+,20+,21-,25+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524085
PNG
(Isorhoifolin | Isorhoifoline)
Show SMILES [H][C@@]1(OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(cc4=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524086
PNG
(CHEMBL4540001)
Show SMILES [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)C(=C)CO |r|
Show InChI InChI=1S/C24H33NO8/c1-5-24(4)9-17(32-22(30)14(3)12-27)18-15(10-25-8-6-7-16(25)21(28)29)23(31)33-20(18)19(24)13(2)11-26/h5,15-20,26-27H,1-3,6-12H2,4H3,(H,28,29)/t15-,16-,17-,18+,19+,20-,24+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524087
PNG
(CHEMBL4464806)
Show SMILES [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C\C(C)=C\CC\C(CO)=C\2)OC(=O)C(=C)CO |r,t:22,28|
Show InChI InChI=1S/C24H33NO8/c1-14-5-3-6-16(13-27)10-20-21(19(9-14)32-23(30)15(2)12-26)17(24(31)33-20)11-25-8-4-7-18(25)22(28)29/h5,10,17-21,26-27H,2-4,6-9,11-13H2,1H3,(H,28,29)/b14-5+,16-10-/t17-,18-,19-,20+,21+/m0/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50524077
PNG
(CHEMBL4590166)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H26O14/c31-12-24-29(44-25(38)6-2-13-1-4-16(32)18(34)7-13)27(39)28(40)30(43-24)41-15-9-20(36)26-21(37)11-22(42-23(26)10-15)14-3-5-17(33)19(35)8-14/h1-11,24,27-36,39-40H,12H2/b6-2+/t24-,27-,28-,29-,30-/m1/s1
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Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
BindingDB Entry DOI: 10.7270/Q2K077PD
More data for this
Ligand-Target Pair