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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'ryu' and Initial = 'se'   
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
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121272
PNG
((2S)-2-[(aminosulfonyl)amino]-3-phenylpropanoic ac...)
Show SMILES NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1
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 650n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50253594
PNG
(1-(3,4-dihydroxyphenyl)-2-[2-(4-methoxyphenyl)-2H-...)
Show SMILES COc1ccc(cc1)-n1nnc(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-18-16(17-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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 2.04E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50253593
PNG
(2-(3,4-Dimethylphenylamino)-5-(3-furan-2-ylallylid...)
Show SMILES Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
Show InChI InChI=1S/C18H16N2O2S/c1-12-8-9-14(11-13(12)2)19-18-20-17(21)16(23-18)7-3-5-15-6-4-10-22-15/h3-11H,1-2H3,(H,19,20,21)
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 2.14E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50237948
PNG
((E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-me...)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
Show InChI InChI=1S/C23H16ClN3O2S/c24-16-8-6-15(7-9-16)20-12-10-18(29-20)11-13-21-26-22(28)19(14-25)23(30)27(21)17-4-2-1-3-5-17/h1-13,19,21H,(H,26,28)/b13-11+
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 2.92E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121270
PNG
((2S)-2-({[(phenylmethyl)amino]sulfonyl}amino)-3-ph...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C16H18N2O4S/c19-16(20)15(11-13-7-3-1-4-8-13)18-23(21,22)17-12-14-9-5-2-6-10-14/h1-10,15,17-18H,11-12H2,(H,19,20)/t15-/m0/s1
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 3.50E+4n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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 3.75E+4n/an/an/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Binding affinity to Cdc25A (336-523) (unknown origin) expressed in Escherichia coli by steady-state kinetic assay

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121276
PNG
((2S)-2-({[(2-phenylethyl)amino]sulfonyl}amino)-3-p...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H20N2O4S/c20-17(21)16(13-15-9-5-2-6-10-15)19-24(22,23)18-12-11-14-7-3-1-4-8-14/h1-10,16,18-19H,11-13H2,(H,20,21)/t16-/m0/s1
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 1.80E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121275
PNG
((2S)-2-{[(methylamino)sulfonyl]amino}-3-phenylprop...)
Show SMILES CNS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c1-11-17(15,16)12-9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9,11-12H,7H2,1H3,(H,13,14)/t9-/m0/s1
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 1.80E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121269
PNG
((2R)-2-[(aminosulfonyl)amino]-3-phenylpropanoic ac...)
Show SMILES NS(=O)(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m1/s1
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 4.70E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121273
PNG
((2S)-2-{[(isopropylamino)sulfonyl]amino}-3-phenylp...)
Show SMILES CC(C)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H18N2O4S/c1-9(2)13-19(17,18)14-11(12(15)16)8-10-6-4-3-5-7-10/h3-7,9,11,13-14H,8H2,1-2H3,(H,15,16)/t11-/m0/s1
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 6.10E+5n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121274
PNG
((2R)-2-benzyl-3-{[(methyl-lambda~5~-azanyl)sulfony...)
Show SMILES NS(=O)(=O)NC[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c11-17(15,16)12-7-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H2,11,15,16)/t9-/m1/s1
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 1.40E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121277
PNG
(2-benzyl-3-{[(methyl-lambda~5~-azanyl)sulfonyl]ami...)
Show SMILES NS(=O)(=O)NCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c11-17(15,16)12-7-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H2,11,15,16)
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 2.90E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))		BDBM50121271
PNG
((2S)-2-[(aminosulfonyl)(methyl)amino]-3-phenylprop...)
Show SMILES CN([C@@H](Cc1ccccc1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H14N2O4S/c1-12(17(11,15)16)9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,14)(H2,11,15,16)/t9-/m0/s1
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 3.50E+6n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carboxypeptidase A

J Med Chem 45: 5295-302 (2002)


BindingDB Entry DOI: 10.7270/Q2BR8RJM
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50391713
PNG
(CHEMBL2146956)
Show SMILES c1ccc2nc(ccc2c1)-c1nnc2sc(nn12)-c1cnccn1
Show InChI InChI=1S/C16H9N7S/c1-2-4-11-10(3-1)5-6-12(19-11)14-20-21-16-23(14)22-15(24-16)13-9-17-7-8-18-13/h1-9H
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n/an/a 100n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50237957
PNG
(4-(2-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-...)
Show SMILES OC(=O)c1ccc(cc1)-n1cccc1\C=C1\NC(=O)NC1=O
Show InChI InChI=1S/C15H11N3O4/c19-13-12(16-15(22)17-13)8-11-2-1-7-18(11)10-5-3-9(4-6-10)14(20)21/h1-8H,(H,20,21)(H2,16,17,19,22)/b12-8+
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n/an/a 200n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50456401
PNG
(IRIGENOL)
Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O
Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H
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n/an/a 500n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50391714
PNG
(CHEMBL2146957)
Show SMILES SC1=NC(=O)C(S1)=Cc1cn(nc1-c1cccc(OCc2ccccc2Cl)c1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C26H18ClN3O2S2/c27-22-12-5-4-7-18(22)16-32-21-11-6-8-17(13-21)24-19(14-23-25(31)28-26(33)34-23)15-30(29-24)20-9-2-1-3-10-20/h1-15H,16H2,(H,28,31,33)
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n/an/a 600n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50391715
PNG
(CHEMBL2146960)
Show SMILES Oc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1O |w:5.4|
Show InChI InChI=1S/C14H11N3O4/c1-7-4-12-16-14(20)9(13(15)17(12)21-7)5-8-2-3-10(18)11(19)6-8/h2-6,15,18-19H,1H2,(H,16,20)
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n/an/a 700n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499947
PNG
(CHEMBL3739950)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccco1
Show InChI InChI=1S/C13H8O6/c14-6-4-9(8-2-1-3-18-8)19-10-5-7(15)12(16)13(17)11(6)10/h1-5,15-17H
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n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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n/an/a 820n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25A (336-523) (unknown origin) expressed in Escherichia coli

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50391711
PNG
(CHEMBL2146958)
Show SMILES Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1O
Show InChI InChI=1S/C16H10N2O3S/c19-12-6-5-9(7-13(12)20)8-14-15(21)18-11-4-2-1-3-10(11)17-16(18)22-14/h1-8,19-20H/b14-8-
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n/an/a 900n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499946
PNG
(CHEMBL3740878)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccoc1
Show InChI InChI=1S/C13H8O6/c14-7-3-9(6-1-2-18-5-6)19-10-4-8(15)12(16)13(17)11(7)10/h1-5,15-17H
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n/an/a 900n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184297
PNG
(5-(5-(benzo[b]thiophen-3-yl)-2-(benzyloxy)benzylid...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1csc2ccccc12 |w:7.8,t:1|
Show InChI InChI=1S/C25H17NO2S3/c27-24-23(31-25(29)26-24)13-18-12-17(20-15-30-22-9-5-4-8-19(20)22)10-11-21(18)28-14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,27,29)
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n/an/a 900n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184288
PNG
(5-(2-(2-bromobenzyloxy)-5-bromobenzylidene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Br |w:7.8,t:1|
Show InChI InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
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n/an/a 900n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296442
PNG
(5-(2-methyl-3-phenylallylidene)-2-(phenylamino)thi...)
Show SMILES CC(C=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1=O)=Cc1ccccc1 |w:2.1,18.20,c:15|
Show InChI InChI=1S/C19H14Cl2N2OS/c1-12(7-13-5-3-2-4-6-13)8-17-18(24)23-19(25-17)22-16-10-14(20)9-15(21)11-16/h2-11H,1H3,(H,22,23,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50387974
PNG
(CHEMBL2057830)
Show SMILES Oc1ccc(cc1)C1=NN2C(S1)=NC(=O)\C(=C\c1ccc(O)c(O)c1)C2=N |c:13,t:8|
Show InChI InChI=1S/C18H12N4O4S/c19-15-12(7-9-1-6-13(24)14(25)8-9)16(26)20-18-22(15)21-17(27-18)10-2-4-11(23)5-3-10/h1-8,19,23-25H/b12-7+,19-15?
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184287
PNG
(5-(5-(benzofuran-3-yl)-2-(benzyloxy)benzylidene)-2...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1coc2ccccc12 |w:7.8,t:1|
Show InChI InChI=1S/C25H17NO3S2/c27-24-23(31-25(30)26-24)13-18-12-17(20-15-29-22-9-5-4-8-19(20)22)10-11-21(18)28-14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,26,27,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Homo sapiens (Human))		BDBM50391712
PNG
(CHEMBL2146959)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C19H13N5O5S/c25-16(20-12-5-1-2-6-13(12)24(26)27)11-30-19-21-17(14-7-3-9-28-14)18(22-23-19)15-8-4-10-29-15/h1-10H,11H2,(H,20,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296467
PNG
(2-(5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
Show InChI InChI=1S/C22H16ClN3O3S/c23-16-9-6-14(7-10-16)21-24-25-22(26(21)17-4-2-1-3-5-17)30-13-20(29)15-8-11-18(27)19(28)12-15/h1-12,27-28H,13H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184285
PNG
(5-(2-(4-bromobenzyloxy)benzylidene)-2-thioxothiazo...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1OCc1ccc(Br)cc1 |w:7.8,t:1|
Show InChI InChI=1S/C17H12BrNO2S2/c18-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-15-16(20)19-17(22)23-15/h1-9H,10H2,(H,19,20,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50179012
PNG
(CHEMBL382338 | Sanggenon G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6@H](-[#6@@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])ccc1-[#8] |t:6|
Show InChI InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-26(24-9-6-22(42)15-30(24)45)36(39(49)25-10-7-23(43)16-31(25)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)27-14-21(41)8-11-29(27)44/h4,6-11,13-16,18,26,28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t26-,28-,34-,36-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B

Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184296
PNG
(5-((3-(2-chloro-6-fluorobenzyloxy)naphthalen-2-yl)...)
Show SMILES Fc1cccc(Cl)c1COc1cc2ccccc2cc1C=C1SC(S)=NC1=O |w:20.22,c:27|
Show InChI InChI=1S/C21H13ClFNO2S2/c22-16-6-3-7-17(23)15(16)11-26-18-9-13-5-2-1-4-12(13)8-14(18)10-19-20(25)24-21(27)28-19/h1-10H,11H2,(H,24,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184298
PNG
(5-(4-Benzyloxy-biphenyl-3-ylmethylene)-2-thioxo-th...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(ccc1OCc1ccccc1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C23H17NO2S2/c25-22-21(28-23(27)24-22)14-19-13-18(17-9-5-2-6-10-17)11-12-20(19)26-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296456
PNG
(1-(3,4-dihydroxyphenyl)-2-(5-(4-methoxyphenyl)-4-p...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
Show InChI InChI=1S/C23H19N3O4S/c1-30-18-10-7-15(8-11-18)22-24-25-23(26(22)17-5-3-2-4-6-17)31-14-21(29)16-9-12-19(27)20(28)13-16/h2-13,27-28H,14H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50253593
PNG
(2-(3,4-Dimethylphenylamino)-5-(3-furan-2-ylallylid...)
Show SMILES Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
Show InChI InChI=1S/C18H16N2O2S/c1-12-8-9-14(11-13(12)2)19-18-20-17(21)16(23-18)7-3-5-15-6-4-10-22-15/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184293
PNG
(5-[1-[3-(biphenyl-4-ylmethoxy)-naphthalen-2-yl]-me...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccc(cc1)-c1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C27H19NO2S2/c29-26-25(32-27(31)28-26)16-23-14-21-8-4-5-9-22(21)15-24(23)30-17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-16H,17H2,(H,28,29,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50253622
PNG
(2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClN3O3S/c1-14-2-4-15(5-3-14)22-25-26-23(27(22)18-9-7-17(24)8-10-18)31-13-21(30)16-6-11-19(28)20(29)12-16/h2-12,28-29H,13H2,1H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25B (378-566) (unknown origin) expressed in Escherichia coli

J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184291
PNG
(5-((3-(benzyloxy)naphthalen-2-yl)methylene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc2ccccc2cc1OCc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C21H15NO2S2/c23-20-19(26-21(25)22-20)12-17-10-15-8-4-5-9-16(15)11-18(17)24-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296462
PNG
(1-(biphenyl-4-yl)-2-(5-(furan-2-yl)-4-methyl-4H-1,...)
Show SMILES Cn1c(SCC(=O)c2ccc(cc2)-c2ccccc2)nnc1-c1ccco1
Show InChI InChI=1S/C21H17N3O2S/c1-24-20(19-8-5-13-26-19)22-23-21(24)27-14-18(25)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13H,14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296443
PNG
(2-(2-chlorophenylamino)-5-(3-(furan-2-yl)allyliden...)
Show SMILES Clc1ccccc1NC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:14.16,16.18,t:9|
Show InChI InChI=1S/C16H11ClN2O2S/c17-12-7-1-2-8-13(12)18-16-19-15(20)14(22-16)9-3-5-11-6-4-10-21-11/h1-10H,(H,18,19,20)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296444
PNG
(2-(2,3-dichlorophenylamino)-5-(3-(furan-2-yl)allyl...)
Show SMILES Clc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1Cl |w:13.14,15.16,t:7|
Show InChI InChI=1S/C16H10Cl2N2O2S/c17-11-6-2-7-12(14(11)18)19-16-20-15(21)13(23-16)8-1-4-10-5-3-9-22-10/h1-9H,(H,19,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 4


(Homo sapiens (Human))		BDBM50391713
PNG
(CHEMBL2146956)
Show SMILES c1ccc2nc(ccc2c1)-c1nnc2sc(nn12)-c1cnccn1
Show InChI InChI=1S/C16H9N7S/c1-2-4-11-10(3-1)5-6-12(19-11)14-20-21-16-23(14)22-15(24-16)13-9-17-7-8-18-13/h1-9H
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n/an/a 2.29E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of MKP2

Bioorg Med Chem Lett 22: 6333-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.081
BindingDB Entry DOI: 10.7270/Q2HT2QDC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296466
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-(furan-2-yl)-5-p-toly...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccco1
Show InChI InChI=1S/C21H17N3O4S/c1-13-4-6-14(7-5-13)20-22-23-21(24(20)19-3-2-10-28-19)29-12-18(27)15-8-9-16(25)17(26)11-15/h2-11,25-26H,12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296447
PNG
(2-(3,4-dimethylphenylamino)-5-(2-methyl-3-phenylal...)
Show SMILES CC(C=C1SC(Nc2ccc(C)c(C)c2)=NC1=O)=Cc1ccccc1 |w:2.1,18.20,c:15|
Show InChI InChI=1S/C21H20N2OS/c1-14(11-17-7-5-4-6-8-17)12-19-20(24)23-21(25-19)22-18-10-9-15(2)16(3)13-18/h4-13H,1-3H3,(H,22,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296450
PNG
(2-(3,5-dichlorophenylamino)-5-(3-(furan-2-yl)allyl...)
Show SMILES Clc1cc(Cl)cc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:14.15,16.17,t:8|
Show InChI InChI=1S/C16H10Cl2N2O2S/c17-10-7-11(18)9-12(8-10)19-16-20-15(21)14(23-16)5-1-3-13-4-2-6-22-13/h1-9H,(H,19,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296453
PNG
(5-((1H-indol-3-yl)methylene)-2-(3,5-dichlorophenyl...)
Show SMILES Clc1cc(Cl)cc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c1 |w:14.15,t:8|
Show InChI InChI=1S/C18H11Cl2N3OS/c19-11-6-12(20)8-13(7-11)22-18-23-17(24)16(25-18)5-10-9-21-15-4-2-1-3-14(10)15/h1-9,21H,(H,22,23,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))		BDBM50184290
PNG
(5-(2-(2-chlorobenzyloxy)-5-bromobenzylidene)-2-thi...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Cl |w:7.8,t:1|
Show InChI InChI=1S/C17H11BrClNO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRL-3

Bioorg Med Chem Lett 16: 2996-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.060
BindingDB Entry DOI: 10.7270/Q2RB746W
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))		BDBM50296465
PNG
(1-(3,4-dihydroxyphenyl)-2-(4-phenyl-5-p-tolyl-4H-1...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccccc1
Show InChI InChI=1S/C23H19N3O3S/c1-15-7-9-16(10-8-15)22-24-25-23(26(22)18-5-3-2-4-6-18)30-14-21(29)17-11-12-19(27)20(28)13-17/h2-13,27-28H,14H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader...

Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50179008
PNG
(CHEMBL204813 | sanggenon C)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|
Show InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B

Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
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