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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'ishibashi' and Initial = 'm'   
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
Transcription factor HES-1


(Mus musculus)
BDBM50378454
PNG
(LINDBLADIONE)
Show SMILES CCCC(=O)CC=C1C(=O)C(=O)c2cc(O)c(O)cc2C1=O |w:6.5|
Show InChI InChI=1S/C16H14O6/c1-2-3-8(17)4-5-9-14(20)10-6-12(18)13(19)7-11(10)16(22)15(9)21/h5-7,18-19H,2-4H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378456
PNG
(LYCOGALIC ACID A | LYCOGARIC ACID A)
Show SMILES OC(=O)c1[nH]c(C(O)=O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12 |(-3.69,3.13,;-2.28,3.76,;-2.12,5.29,;-1.03,2.85,;.43,3.33,;1.34,2.08,;2.88,2.08,;3.65,3.42,;3.65,.75,;.43,.84,;.91,-.63,;0,-1.87,;.91,-3.12,;2.37,-2.64,;3.71,-3.41,;5.04,-2.64,;5.04,-1.1,;3.71,-.33,;2.37,-1.1,;-1.03,1.31,;-2.28,.41,;-3.74,.88,;-4.65,-.36,;-3.74,-1.61,;-4.06,-3.11,;-2.92,-4.14,;-1.45,-3.67,;-1.13,-2.16,;-2.28,-1.13,)|
Show InChI InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
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
Transcription factor HES-1


(Mus musculus)
BDBM50378457
PNG
(CHEMBL572017)
Show SMILES C\C=C1\[C@H]2OC=C([C@H]1CC(=O)OC[C@@H](OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1)C(O)=O |r,c:5|
Show InChI InChI=1S/C24H28O13/c1-2-11-12-6-18(27)34-8-16(10-3-4-14(25)15(26)5-10)33-9-17-19(28)20(29)21(30)24(36-17)37-23(11)35-7-13(12)22(31)32/h2-5,7,12,16-17,19-21,23-26,28-30H,6,8-9H2,1H3,(H,31,32)/b11-2+/t12-,16?,17+,19+,20-,21+,23-,24-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378459
PNG
(NUDIPOSIDE)
Show SMILES COc1cc2C[C@H](CO)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O |r|
Show InChI InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16-,20+,22+,25-,27-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
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
Transcription factor HES-1


(Mus musculus)
BDBM50378455
PNG
(LYCOGARUBIN B)
Show SMILES COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12 |(7.11,-6.42,;8.45,-7.17,;9.78,-6.38,;9.75,-4.84,;11.12,-7.13,;12.37,-6.21,;13.62,-7.11,;14.94,-6.31,;14.9,-4.77,;16.29,-7.05,;17.6,-6.24,;13.14,-8.58,;13.64,-10.04,;12.75,-11.29,;13.68,-12.53,;15.13,-12.02,;16.46,-12.77,;17.79,-11.98,;17.76,-10.44,;19.08,-9.65,;16.42,-9.7,;15.11,-10.49,;11.6,-8.6,;11.13,-10.06,;12.04,-11.31,;11.13,-12.56,;9.67,-12.08,;8.34,-12.85,;7,-12.09,;6.99,-10.54,;8.33,-9.77,;9.66,-10.54,)|
Show InChI InChI=1S/C24H19N3O5/c1-31-23(29)21-19(15-10-25-17-6-4-3-5-13(15)17)20(22(27-21)24(30)32-2)16-11-26-18-8-7-12(28)9-14(16)18/h3-11,25-28H,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
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
Transcription factor HES-1


(Mus musculus)
BDBM50378458
PNG
(LYONISIDE)
Show SMILES COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O |r|
Show InChI InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1
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n/an/a 4.81E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Bioorg Med Chem Lett 19: 5778-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.146
BindingDB Entry DOI: 10.7270/Q26Q1Z5X
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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