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15 similar compounds to monomer 50140075

Wt: 517.0
BDBM50140070
Wt: 501.0
BDBM50140069
Wt: 445.5
BDBM50201805
Wt: 412.5
BDBM50201807
Wt: 498.4
BDBM50201809
Wt: 364.3
BDBM50201799
Wt: 481.5
BDBM50201798
Wt: 503.5
BDBM50201800
Wt: 481.5
BDBM50201801
Wt: 505.5
BDBM50201802
Wt: 351.4
BDBM50201803
Wt: 411.4
BDBM50201811
Wt: 364.3
BDBM50201797

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50140070,50140069,50201805,50201807,50201809,50201799,50201798,50201800,50201801,50201802,50201803,50201811,50201797   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50140069
PNG
(CHEMBL3753329)
Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H29ClN4O3S/c1-19-9-10-22(17-24(19)26)28-25(31)27-21-11-13-23(14-12-21)34(32,33)30(16-15-29(2)3)18-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
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4.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50140070
PNG
(CHEMBL3754137)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C25H29ClN4O4S/c1-29(2)15-16-30(18-19-7-5-4-6-8-19)35(32,33)22-12-9-20(10-13-22)27-25(31)28-21-11-14-24(34-3)23(26)17-21/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
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16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50140070
PNG
(CHEMBL3754137)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN(C)C)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C25H29ClN4O4S/c1-29(2)15-16-30(18-19-7-5-4-6-8-19)35(32,33)22-12-9-20(10-13-22)27-25(31)28-21-11-14-24(34-3)23(26)17-21/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
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93n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50140069
PNG
(CHEMBL3753329)
Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H29ClN4O3S/c1-19-9-10-22(17-24(19)26)28-25(31)27-21-11-13-23(14-12-21)34(32,33)30(16-15-29(2)3)18-20-7-5-4-6-8-20/h4-14,17H,15-16,18H2,1-3H3,(H2,27,28,31)
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209n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201798
PNG
(CHEMBL3944187)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C
Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-10-6-8-17(27)12-19)25(34-21)29-18-9-5-7-16(26)11-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-
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n/an/a 3.40n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201800
PNG
(CHEMBL3901092)
Show SMILES O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 270n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201801
PNG
(CHEMBL3942806)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)c1C
Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-11-7-17(27)8-12-19)25(34-21)29-18-9-5-16(26)6-10-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-
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n/an/a 6.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201798
PNG
(CHEMBL3944187)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3cccc(F)c3)N(C2=O)c2cccc(F)c2)c1C
Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-10-6-8-17(27)12-19)25(34-21)29-18-9-5-7-16(26)11-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-
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n/an/a 6.80n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201803
PNG
(CHEMBL3908947)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N\O)N(C(C)C)C2=O)c1C
Show InChI InChI=1S/C16H21N3O4S/c1-6-23-15(21)13-9(4)11(17-10(13)5)7-12-14(20)19(8(2)3)16(18-22)24-12/h7-8,17,22H,6H2,1-5H3/b12-7-,18-16+
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n/an/a 5.80n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201801
PNG
(CHEMBL3942806)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)c1C
Show InChI InChI=1S/C25H21F2N3O3S/c1-4-33-24(32)22-14(2)20(28-15(22)3)13-21-23(31)30(19-11-7-17(27)8-12-19)25(34-21)29-18-9-5-16(26)6-10-18/h5-13,28H,4H2,1-3H3/b21-13-,29-25-
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n/an/a 2.90n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50201805
PNG
(CHEMBL3903987)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1C
Show InChI InChI=1S/C25H23N3O3S/c1-4-31-24(30)22-16(2)20(26-17(22)3)15-21-23(29)28(19-13-9-6-10-14-19)25(32-21)27-18-11-7-5-8-12-18/h5-15,26H,4H2,1-3H3/b21-15-,27-25-
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n/an/a 8.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201805
PNG
(CHEMBL3903987)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1C
Show InChI InChI=1S/C25H23N3O3S/c1-4-31-24(30)22-16(2)20(26-17(22)3)15-21-23(29)28(19-13-9-6-10-14-19)25(32-21)27-18-11-7-5-8-12-18/h5-15,26H,4H2,1-3H3/b21-15-,27-25-
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n/an/a 1.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201807
PNG
(CHEMBL3934071)
Show SMILES CC(C)N1\C(S\C(=C/c2ccc(OCCN(C)c3ccccn3)cc2)C1=O)=N\O
Show InChI InChI=1S/C21H24N4O3S/c1-15(2)25-20(26)18(29-21(25)23-27)14-16-7-9-17(10-8-16)28-13-12-24(3)19-6-4-5-11-22-19/h4-11,14-15,27H,12-13H2,1-3H3/b18-14-,23-21-
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n/an/a 2.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
Show InChI InChI=1S/C26H25F3N4O3/c1-17-14-30-25(31-20-3-5-21(6-4-20)33-8-10-34-11-9-33)32-24(17)23-13-19-12-18(2-7-22(19)36-23)15-35-16-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H,30,31,32)
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n/an/a 26n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 364n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
Show InChI InChI=1S/C26H25F3N4O3/c1-17-14-30-25(31-20-3-5-21(6-4-20)33-8-10-34-11-9-33)32-24(17)23-13-19-12-18(2-7-22(19)36-23)15-35-16-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H,30,31,32)
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n/an/a 837n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...


Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201797
PNG
(CHEMBL516585)
Show SMILES CC1(C)OC2=C(C1Nc1ccc(cc1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
Show InChI InChI=1S/C20H16N2O5/c1-20(2)19(21-11-7-9-12(10-8-11)22(25)26)15-17(24)16(23)13-5-3-4-6-14(13)18(15)27-20/h3-10,19,21H,1-2H3
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n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201797
PNG
(CHEMBL516585)
Show SMILES CC1(C)OC2=C(C1Nc1ccc(cc1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
Show InChI InChI=1S/C20H16N2O5/c1-20(2)19(21-11-7-9-12(10-8-11)22(25)26)15-17(24)16(23)13-5-3-4-6-14(13)18(15)27-20/h3-10,19,21H,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201799
PNG
(CHEMBL238792)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
Show InChI InChI=1S/C20H16N2O5/c1-20(2)19(21-11-6-5-7-12(10-11)22(25)26)15-17(24)16(23)13-8-3-4-9-14(13)18(15)27-20/h3-10,19,21H,1-2H3
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n/an/a>3.20E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor ...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
Quinone reductase 1)


(Homo sapiens (Human))
BDBM50201799
PNG
(CHEMBL238792)
Show SMILES CC1(C)OC2=C(C1Nc1cccc(c1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
Show InChI InChI=1S/C20H16N2O5/c1-20(2)19(21-11-6-5-7-12(10-11)22(25)26)15-17(24)16(23)13-8-3-4-9-14(13)18(15)27-20/h3-10,19,21H,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Federal University of Minas Gerais

Curated by ChEMBL


Assay Description
Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining base...


Eur J Med Chem 122: 1-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.019
BindingDB Entry DOI: 10.7270/Q2NV9M74
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50201802
PNG
(CHEMBL3981128)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)c1C
Show InChI InChI=1S/C27H27N3O5S/c1-6-35-26(32)24-16(2)22(28-17(24)3)15-23-25(31)30(19-9-13-21(34-5)14-10-19)27(36-23)29-18-7-11-20(33-4)12-8-18/h7-15,28H,6H2,1-5H3/b23-15-,29-27-
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n/an/a 2.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 h...


Eur J Med Chem 122: 756-769 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.060
BindingDB Entry DOI: 10.7270/Q25Q4Z2D
More data for this
Ligand-Target Pair