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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'joo' and Initial = 'c'   
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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423394
PNG
(US10501473, Example 36)
Show SMILES Fc1cccc(c1)-c1cccc2sc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H16FNO2S/c20-14-4-1-3-13(11-14)15-5-2-6-17-16(15)12-18(24-17)19(22)21-7-9-23-10-8-21/h1-6,11-12H,7-10H2
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n/an/a 17.7n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423407
PNG
(US10501473, Example 76)
Show SMILES O=C(N1CCOCC1)c1cc2c(cccc2s1)-c1ccsc1
Show InChI InChI=1S/C17H15NO2S2/c19-17(18-5-7-20-8-6-18)16-10-14-13(12-4-9-21-11-12)2-1-3-15(14)22-16/h1-4,9-11H,5-8H2
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n/an/a 61.2n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423404
PNG
(US10501473, Example 74)
Show SMILES O=C(N1CCOCC1)c1cc2c(cccc2s1)-c1cccs1
Show InChI InChI=1S/C17H15NO2S2/c19-17(18-6-8-20-9-7-18)16-11-13-12(14-5-2-10-21-14)3-1-4-15(13)22-16/h1-5,10-11H,6-9H2
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n/an/a 65.6n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423405
PNG
(US10501473, Example 75)
Show SMILES O=C(N1CCOCC1)c1cc2c(cccc2s1)-c1ccoc1
Show InChI InChI=1S/C17H15NO3S/c19-17(18-5-8-20-9-6-18)16-10-14-13(12-4-7-21-11-12)2-1-3-15(14)22-16/h1-4,7,10-11H,5-6,8-9H2
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n/an/a 73.4n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM36371
PNG
(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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n/an/a 95.5n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423379
PNG
(US10501473, Example 30)
Show SMILES Fc1ccccc1-c1cccc2sc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H16FNO2S/c20-16-6-2-1-4-14(16)13-5-3-7-17-15(13)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
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n/an/a 102n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423400
PNG
(US10501473, Example 39)
Show SMILES Fc1ccc(cc1)-c1cccc2sc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H16FNO2S/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
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n/an/a 193n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423401
PNG
(US10501473, Example 51)
Show SMILES Fc1ccc(cc1)-c1cccc2sc(cc12)C(=O)N1CCSCC1
Show InChI InChI=1S/C19H16FNOS2/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
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n/an/a 217n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423403
PNG
(US10501473, Example 63)
Show SMILES Fc1ccc(c(F)c1)-c1cccc2sc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H15F2NO2S/c20-12-4-5-14(16(21)10-12)13-2-1-3-17-15(13)11-18(25-17)19(23)22-6-8-24-9-7-22/h1-5,10-11H,6-9H2
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n/an/a 230n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423389
PNG
(US10501473, Example 35)
Show SMILES Fc1ccc(cc1)-c1cccc2sc(cc12)C(=O)N1CCCC1
Show InChI InChI=1S/C19H16FNOS/c20-14-8-6-13(7-9-14)15-4-3-5-17-16(15)12-18(23-17)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2
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n/an/a 360n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356166
PNG
(CHEMBL1088657)
Show SMILES Cc1cccc(NC(N)=S)c1
Show InChI InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356164
PNG
(CHEMBL1088361)
Show SMILES CCc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
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n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356167
PNG
(CHEMBL1088658)
Show SMILES Cc1ccccc1NC(N)=S
Show InChI InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 840n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423376
PNG
(US10501473, Example 4)
Show SMILES Fc1ccc(cc1)-c1ccnc2sc(cc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H15FN2O2S/c19-13-3-1-12(2-4-13)14-5-6-20-17-15(14)11-16(24-17)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2
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n/an/a 1.13E+3n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356163
PNG
(CHEMBL1088360)
Show SMILES Cc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50240041
PNG
(1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...)
Show SMILES NC(=S)Nc1ccccc1
Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356165
PNG
(CHEMBL1088498)
Show SMILES CC(C)(C)c1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM423402
PNG
(US10501473, Example 52)
Show SMILES Fc1ccc(cc1)-c1cccc2sc(cc12)C(=O)N1CCCOCC1
Show InChI InChI=1S/C20H18FNO2S/c21-15-7-5-14(6-8-15)16-3-1-4-18-17(16)13-19(25-18)20(23)22-9-2-11-24-12-10-22/h1,3-8,13H,2,9-12H2
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n/an/a 8.17E+3n/an/an/an/an/an/a



THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC)

US Patent


Assay Description
RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...


US Patent US10501473 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q39
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391556
PNG
(CHEMBL2147495)
Show SMILES OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C1CCCCC1
Show InChI InChI=1S/C25H35NO4/c27-15-14-26(21-10-5-2-6-11-21)16-20-18-30-23-13-7-12-22(24(23)25(20)28)29-17-19-8-3-1-4-9-19/h7,12-13,18-19,21,27H,1-6,8-11,14-17H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391546
PNG
(CHEMBL2146491)
Show SMILES COc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
Show InChI InChI=1S/C27H33NO5/c1-31-23-12-10-20(11-13-23)16-28(14-15-29)17-22-19-33-25-9-5-8-24(26(25)27(22)30)32-18-21-6-3-2-4-7-21/h5,8-13,19,21,29H,2-4,6-7,14-18H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391547
PNG
(CHEMBL2147499)
Show SMILES OCCN(Cc1ccc(O)cc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C26H31NO5/c28-14-13-27(15-19-9-11-22(29)12-10-19)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,28-29H,1-3,5-6,13-17H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391554
PNG
(CHEMBL2147492)
Show SMILES CCCCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C23H33NO4/c1-2-3-12-24(13-14-25)15-19-17-28-21-11-7-10-20(22(21)23(19)26)27-16-18-8-5-4-6-9-18/h7,10-11,17-18,25H,2-6,8-9,12-16H2,1H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391548
PNG
(CHEMBL2147498)
Show SMILES Cc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
Show InChI InChI=1S/C27H33NO4/c1-20-10-12-21(13-11-20)16-28(14-15-29)17-23-19-32-25-9-5-8-24(26(25)27(23)30)31-18-22-6-3-2-4-7-22/h5,8-13,19,22,29H,2-4,6-7,14-18H2,1H3
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n/an/a 9.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391553
PNG
(CHEMBL2147493)
Show SMILES CC(C)N(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C22H31NO4/c1-16(2)23(11-12-24)13-18-15-27-20-10-6-9-19(21(20)22(18)25)26-14-17-7-4-3-5-8-17/h6,9-10,15-17,24H,3-5,7-8,11-14H2,1-2H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391552
PNG
(CHEMBL2147500)
Show SMILES OCCN(Cc1ccc(Cl)cc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C26H30ClNO4/c27-22-11-9-19(10-12-22)15-28(13-14-29)16-21-18-32-24-8-4-7-23(25(24)26(21)30)31-17-20-5-2-1-3-6-20/h4,7-12,18,20,29H,1-3,5-6,13-17H2
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n/an/a 1.03E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391550
PNG
(CHEMBL2147496)
Show SMILES OCCN(CC1CCCCC1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C26H37NO4/c28-15-14-27(16-20-8-3-1-4-9-20)17-22-19-31-24-13-7-12-23(25(24)26(22)29)30-18-21-10-5-2-6-11-21/h7,12-13,19-21,28H,1-6,8-11,14-18H2
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n/an/a 1.24E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391551
PNG
(CHEMBL2147501)
Show SMILES OCCN(Cc1ccncc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C25H30N2O4/c28-14-13-27(15-19-9-11-26-12-10-19)16-21-18-31-23-8-4-7-22(24(23)25(21)29)30-17-20-5-2-1-3-6-20/h4,7-12,18,20,28H,1-3,5-6,13-17H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391555
PNG
(CHEMBL2147494)
Show SMILES OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccccc1
Show InChI InChI=1S/C25H29NO4/c27-15-14-26(21-10-5-2-6-11-21)16-20-18-30-23-13-7-12-22(24(23)25(20)28)29-17-19-8-3-1-4-9-19/h2,5-7,10-13,18-19,27H,1,3-4,8-9,14-17H2
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n/an/a 1.43E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391544
PNG
(CHEMBL2147491)
Show SMILES CCCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C22H31NO4/c1-2-11-23(12-13-24)14-18-16-27-20-10-6-9-19(21(20)22(18)25)26-15-17-7-4-3-5-8-17/h6,9-10,16-17,24H,2-5,7-8,11-15H2,1H3
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n/an/a 1.54E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391549
PNG
(CHEMBL2147497)
Show SMILES OCCN(Cc1ccccc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C26H31NO4/c28-15-14-27(16-20-8-3-1-4-9-20)17-22-19-31-24-13-7-12-23(25(24)26(22)29)30-18-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,19,21,28H,2,5-6,10-11,14-18H2
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n/an/a 1.61E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391545
PNG
(CHEMBL2147490)
Show SMILES CCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C21H29NO4/c1-2-22(11-12-23)13-17-15-26-19-10-6-9-18(20(19)21(17)24)25-14-16-7-4-3-5-8-16/h6,9-10,15-16,23H,2-5,7-8,11-14H2,1H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356170
PNG
(CHEMBL1087841)
Show SMILES NC(=S)NCc1ccccc1
Show InChI InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
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n/an/a 2.54E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356168
PNG
(CHEMBL1087472)
Show SMILES CCc1ccccc1NC(N)=S
Show InChI InChI=1S/C9H12N2S/c1-2-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
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n/an/a 2.71E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50354850
PNG
(BUDESONIDE | US10869929, Compound Budesonide | US1...)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
Show InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50391557
PNG
(CHEMBL2147489)
Show SMILES CN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
Show InChI InChI=1S/C20H27NO4/c1-21(10-11-22)12-16-14-25-18-9-5-8-17(19(18)20(16)23)24-13-15-6-3-2-4-7-15/h5,8-9,14-15,22H,2-4,6-7,10-13H2,1H3
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n/an/a 3.03E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356172
PNG
(CHEMBL1087843)
Show SMILES NC(=S)NCCCc1ccccc1
Show InChI InChI=1S/C10H14N2S/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13)
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n/an/a 6.48E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50031467
PNG
(5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE | 5-Hyd...)
Show SMILES OCc1cc(=O)c(O)co1
Show InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
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n/an/a 7.04E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356182
PNG
(CHEMBL1521932)
Show SMILES S=C(NCCCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C16H18N2S/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H2,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356181
PNG
(CHEMBL1497537)
Show SMILES S=C(NCCc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C15H16N2S/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356183
PNG
(CHEMBL1910061)
Show SMILES CC(C)N(C(C)C)C(=S)Nc1ccccc1
Show InChI InChI=1S/C13H20N2S/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356175
PNG
(CHEMBL1910057)
Show SMILES Cc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2S/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356174
PNG
(CHEMBL275260)
Show SMILES S=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356173
PNG
(CHEMBL1910056)
Show SMILES CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C8H10N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356176
PNG
(CHEMBL1910058)
Show SMILES Clc1ccc(NC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C13H11ClN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356171
PNG
(CHEMBL1087842)
Show SMILES NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H12N2S/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356184
PNG
(CHEMBL591208)
Show SMILES Cc1ccc2NC(=S)N(CCc3ccccc3)Cc2c1
Show InChI InChI=1S/C17H18N2S/c1-13-7-8-16-15(11-13)12-19(17(20)18-16)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356179
PNG
(CHEMBL1910059)
Show SMILES S=C(NC1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356169
PNG
(CHEMBL1094725)
Show SMILES CC(C)(C)c1ccccc1NC(N)=S
Show InChI InChI=1S/C11H16N2S/c1-11(2,3)8-6-4-5-7-9(8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50356185
PNG
(CHEMBL1208820)
Show SMILES S=C1NCc2ccccc2N1
Show InChI InChI=1S/C8H8N2S/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H2,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
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