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Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'rydzik' and Initial = 'am'   
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
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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1.97E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271950
PNG
(CHEMBL4127821)
Show SMILES OC(=O)C(\S)=C\c1c(F)cccc1Cl
Show InChI InChI=1S/C9H6ClFO2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-
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n/an/a 60n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271847
PNG
(CHEMBL4127736)
Show SMILES OC(=O)C(\S)=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H6Cl2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-
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n/an/a 70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271833
PNG
(CHEMBL3792857)
Show SMILES OC(=O)C(\S)=C\c1c(Cl)ccc(Cl)c1Cl
Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-
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n/an/a 80n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271878
PNG
(CHEMBL4125829)
Show SMILES OC(=O)C(\S)=C\c1c(F)cccc1F
Show InChI InChI=1S/C9H6F2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271834
PNG
(CHEMBL3234727)
Show SMILES OC(=O)C(S)c1ccccc1
Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271963
PNG
(CHEMBL1559342)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)cccc2Cl)C1=O
Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50271833
PNG
(CHEMBL3792857)
Show SMILES OC(=O)C(\S)=C\c1c(Cl)ccc(Cl)c1Cl
Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271893
PNG
(CHEMBL4128221)
Show SMILES OC(=O)C(\S)=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271889
PNG
(CHEMBL4129411)
Show SMILES Cc1cccc(C)c1\C=C(/S)C(O)=O
Show InChI InChI=1S/C11H12O2S/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-6,14H,1-2H3,(H,12,13)/b10-6-
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271952
PNG
(CHEMBL4126465)
Show SMILES OC(=O)C(\S)=C\c1c(F)ccc(F)c1F
Show InChI InChI=1S/C9H5F3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-
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n/an/a 300n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50247639
PNG
(CHEMBL4068716)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O
Show InChI InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 370n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4E


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271891
PNG
(CHEMBL4129450)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=O)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O
Show InChI InChI=1S/C17H17Cl3N4O3S/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 690n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271835
PNG
(CHEMBL4095898)
Show SMILES OC(=O)C(\S)=C\c1ccccc1
Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6-
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n/an/a 700n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271824
PNG
(CHEMBL4129233)
Show SMILES Cc1ccc(\C=C(/S)C(O)=O)cc1
Show InChI InChI=1S/C10H10O2S/c1-7-2-4-8(5-3-7)6-9(13)10(11)12/h2-6,13H,1H3,(H,11,12)/b9-6-
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n/an/a 700n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 710n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 720n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 760n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 830n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271798
PNG
(CHEMBL3221923)
Show SMILES OC(=O)C(\S)=C\c1ccccc1Cl
Show InChI InChI=1S/C9H7ClO2S/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-
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n/an/a 900n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271868
PNG
(CHEMBL4125695)
Show SMILES OC(=O)C(\S)=C\c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H6Cl2O2S/c10-6-3-1-2-5(8(6)11)4-7(14)9(12)13/h1-4,14H,(H,12,13)/b7-4-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271867
PNG
(CHEMBL4128976)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2cccc(Cl)c2Cl)C1=O
Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-14(24)10-23-16(25)13(27-17(23)26)9-11-3-2-4-12(18)15(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b13-9-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271836
PNG
(CHEMBL4126979)
Show SMILES OC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271876
PNG
(CHEMBL4125965)
Show SMILES OC(=O)C(\S)=C\c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C9H6Cl2O2S/c10-6-1-2-7(11)5(3-6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271800
PNG
(CHEMBL4129222)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(F)cccc2Cl)C1=O
Show InChI InChI=1S/C17H18ClFN4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Aeromonas hydrophila)
BDBM50271835
PNG
(CHEMBL4095898)
Show SMILES OC(=O)C(\S)=C\c1ccccc1
Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6-
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Histone lysine demethylase PHF8


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271915
PNG
(CHEMBL4129039)
Show SMILES COc1ccc(\C=C(/S)C(O)=O)cc1
Show InChI InChI=1S/C10H10O3S/c1-13-8-4-2-7(3-5-8)6-9(14)10(11)12/h2-6,14H,1H3,(H,11,12)/b9-6-
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Article
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


Article DOI: 10.1016/j.bmc.2018.02.043
BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50028972
PNG
(Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Bioorg Med Chem Lett 24: 4954-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.035
BindingDB Entry DOI: 10.7270/Q2D2207X
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Oryctolagus cuniculus)
BDBM50365099
PNG
(CHEMBL1951197)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)NP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](O)[C@H]2O)c2nc(N)[n-]c(=O)c12 |r|
Show InChI InChI=1S/C21H31N11O20P4/c1-30-5-32(15-9(30)17(38)28-21(23)26-15)19-13(36)10(33)6(50-19)2-47-53(39,40)29-54(41,42)51-56(45,46)52-55(43,44)48-3-7-11(34)12(35)18(49-7)31-4-24-8-14(31)25-20(22)27-16(8)37/h4-7,10-13,18-19,33-36H,2-3H2,1H3,(H10-,22,23,25,26,27,28,29,37,38,39,40,41,42,43,44,45,46)/p-4/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay


Bioorg Med Chem 20: 1699-710 (2012)


Article DOI: 10.1016/j.bmc.2012.01.013
BindingDB Entry DOI: 10.7270/Q2ZW1MC1
More data for this
Ligand-Target Pair
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