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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'koyano' and Initial = 't'   
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
Plasminogen


(Homo sapiens (Human))
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50240897
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50240943
PNG
(2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-chrom...)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Nat Prod 68: 447-9 (2005)


Article DOI: 10.1021/np049622e
BindingDB Entry DOI: 10.7270/Q2Z320J8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50090908
PNG
(CHEBI:67291 | CHEMBL1774404)
Show SMILES [H][C@@]1(COC(=O)C1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@@H](C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)OC(C)=O |r,c:11,32|
Show InChI InChI=1/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50090907
PNG
(CHEBI:66041 | CHEMBL444160)
Show SMILES Oc1ccc2c3ccnc4ccc(=O)n(c2c1)c34
Show InChI InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,17H
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n/an/a 6.80E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50090909
PNG
(CHEMBL3120496)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c4ccnc5ccc(=O)n(c3c2)c45)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-2-10-11-5-6-21-12-3-4-15(24)22(16(11)12)13(10)7-9/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/s2
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n/an/a 1.16E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter g...


J Nat Prod 78: 1139-46 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00153
BindingDB Entry DOI: 10.7270/Q2P270VC
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50249140
PNG
(CHEMBL470503 | colubrinic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50249188
PNG
(Alphitolic acid | CHEMBL511805)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50274058
PNG
(CHEMBL522108 | ceanothanolic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](CO)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50377959
PNG
(CHEMBL491069)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair