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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'garcia' and Initial = 'la'   
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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17617
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9i...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O)-c1ccoc1
Show InChI InChI=1S/C18H14FNO6S/c1-25-17-14(11-8-9-26-10-11)6-7-15(16(17)18(21)22)20-27(23,24)13-4-2-12(19)3-5-13/h2-10,20H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17630
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 19...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccccc2NCCCCN(C)C)c(C(O)=O)c1OC
Show InChI InChI=1S/C22H31N3O5S/c1-5-16-12-13-18(20(22(26)27)21(16)30-4)24-31(28,29)19-11-7-6-10-17(19)23-14-8-9-15-25(2)3/h6-7,10-13,23-24H,5,8-9,14-15H2,1-4H3,(H,26,27)
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n/an/a 10n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17616
PNG
(3-ethyl-6-[(4-fluorobenzene)sulfonamido]-2-methoxy...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OC
Show InChI InChI=1S/C16H16FNO5S/c1-3-10-4-9-13(14(16(19)20)15(10)23-2)18-24(21,22)12-7-5-11(17)6-8-12/h4-9,18H,3H2,1-2H3,(H,19,20)
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n/an/a 11n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17622
PNG
(2-chloro-3-ethyl-6-[(4-fluorobenzene)sulfonamido]b...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1Cl
Show InChI InChI=1S/C15H13ClFNO4S/c1-2-9-3-8-12(13(14(9)16)15(19)20)18-23(21,22)11-6-4-10(17)5-7-11/h3-8,18H,2H2,1H3,(H,19,20)
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n/an/a 15n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17635
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 19...)
Show SMILES CCN(CC)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2ccoc2)c(OC)c1C(O)=O
Show InChI InChI=1S/C25H27FN2O6S/c1-4-28(5-2)13-6-7-17-15-19(26)8-11-22(17)35(31,32)27-21-10-9-20(18-12-14-34-16-18)24(33-3)23(21)25(29)30/h6-12,14-16,27H,4-5,13H2,1-3H3,(H,29,30)/b7-6-
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n/an/a 15n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17632
PNG
(3-ethyl-2-methoxy-6-[(2-{[2-(1-methylpyrrolidin-2-...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccccc2NCCC2CCCN2C)c(C(O)=O)c1OC
Show InChI InChI=1S/C23H31N3O5S/c1-4-16-11-12-19(21(23(27)28)22(16)31-3)25-32(29,30)20-10-6-5-9-18(20)24-14-13-17-8-7-15-26(17)2/h5-6,9-12,17,24-25H,4,7-8,13-15H2,1-3H3,(H,27,28)
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n/an/a 15n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17611
PNG
(3-ethyl-6-[(4-fluorobenzene)sulfonamido]-2-methylb...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
Show InChI InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
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n/an/a 16n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17627
PNG
(2-(2-aminoethoxy)-3-ethyl-6-[(2-propylbenzene)sulf...)
Show SMILES CCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(O)=O
Show InChI InChI=1S/C20H26N2O5S/c1-3-7-15-8-5-6-9-17(15)28(25,26)22-16-11-10-14(4-2)19(27-13-12-21)18(16)20(23)24/h5-6,8-11,22H,3-4,7,12-13,21H2,1-2H3,(H,23,24)
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n/an/a 16n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17634
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 19...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2NCCCN(C)C)c1C(O)=O)-c1ccoc1
Show InChI InChI=1S/C23H26FN3O6S/c1-27(2)11-4-10-25-19-13-16(24)5-8-20(19)34(30,31)26-18-7-6-17(15-9-12-33-14-15)22(32-3)21(18)23(28)29/h5-9,12-14,25-26H,4,10-11H2,1-3H3,(H,28,29)
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n/an/a 17n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17631
PNG
(3-ethyl-2-methoxy-6-[(2-{[3-(2-methylpiperidin-1-y...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccccc2NCCCN2CCCCC2C)c(C(O)=O)c1OC
Show InChI InChI=1S/C25H35N3O5S/c1-4-19-13-14-21(23(25(29)30)24(19)33-3)27-34(31,32)22-12-6-5-11-20(22)26-15-9-17-28-16-8-7-10-18(28)2/h5-6,11-14,18,26-27H,4,7-10,15-17H2,1-3H3,(H,29,30)
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n/an/a 18n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17618
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9j...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1ccoc1
Show InChI InChI=1S/C18H13BrFNO6S/c1-26-17-12(10-6-7-27-9-10)3-4-14(16(17)18(22)23)21-28(24,25)15-5-2-11(20)8-13(15)19/h2-9,21H,1H3,(H,22,23)
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n/an/a 20n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17629
PNG
(2-(2-aminoethoxy)-6-({2-[3-(diethylamino)propyl]-4...)
Show SMILES CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(O)=O
Show InChI InChI=1S/C24H34FN3O5S/c1-4-17-9-11-20(22(24(29)30)23(17)33-15-13-26)27-34(31,32)21-12-10-19(25)16-18(21)8-7-14-28(5-2)6-3/h9-12,16,27H,4-8,13-15,26H2,1-3H3,(H,29,30)
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n/an/a 24n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17633
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 19...)
Show SMILES CCN(CC)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc(CC)c(OC)c1C(O)=O
Show InChI InChI=1S/C23H29FN2O5S/c1-5-16-10-12-19(21(23(27)28)22(16)31-4)25-32(29,30)20-13-11-18(24)15-17(20)9-8-14-26(6-2)7-3/h8-13,15,25H,5-7,14H2,1-4H3,(H,27,28)/b9-8-
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n/an/a 26n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17624
PNG
(2-ethoxy-3-ethyl-6-[(4-fluorobenzene)sulfonamido]b...)
Show SMILES CCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
Show InChI InChI=1S/C17H18FNO5S/c1-3-11-5-10-14(15(17(20)21)16(11)24-4-2)19-25(22,23)13-8-6-12(18)7-9-13/h5-10,19H,3-4H2,1-2H3,(H,20,21)
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n/an/a 38n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17625
PNG
(2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorobenzene)sulf...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCCN
Show InChI InChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22)
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n/an/a 46n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17623
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9o...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(c1)C(O)=O
Show InChI InChI=1S/C15H14FNO4S/c1-2-10-3-8-14(13(9-10)15(18)19)17-22(20,21)12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3,(H,18,19)
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n/an/a 55n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17610
PNG
(3-ethenyl-6-[(4-fluorobenzene)sulfonamido]-2-methy...)
Show SMILES Cc1c(C=C)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
Show InChI InChI=1S/C16H14FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h3-9,18H,1H2,2H3,(H,19,20)
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n/an/a 60n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17628
PNG
(3-ethyl-2-methyl-6-(pyridine-2-sulfonamido)benzoic...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccccn2)c(C(O)=O)c1C
Show InChI InChI=1S/C15H16N2O4S/c1-3-11-7-8-12(14(10(11)2)15(18)19)17-22(20,21)13-6-4-5-9-16-13/h4-9,17H,3H2,1-2H3,(H,18,19)
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n/an/a 67n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17609
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9a...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
Show InChI InChI=1S/C15H14FNO4S/c1-9-3-8-13(14(10(9)2)15(18)19)17-22(20,21)12-6-4-11(16)5-7-12/h3-8,17H,1-2H3,(H,18,19)
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n/an/a 78n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17612
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9d...)
Show SMILES CCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
Show InChI InChI=1S/C17H18FNO4S/c1-3-4-12-5-10-15(16(11(12)2)17(20)21)19-24(22,23)14-8-6-13(18)7-9-14/h5-10,19H,3-4H2,1-2H3,(H,20,21)
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n/an/a 150n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17621
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9m...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O)-c1cn[nH]c1
Show InChI InChI=1S/C17H14FN3O5S/c1-26-16-13(10-8-19-20-9-10)6-7-14(15(16)17(22)23)21-27(24,25)12-4-2-11(18)3-5-12/h2-9,21H,1H3,(H,19,20)(H,22,23)
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n/an/a 280n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17619
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9k...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1ccco1
Show InChI InChI=1S/C18H13BrFNO6S/c1-26-17-11(14-3-2-8-27-14)5-6-13(16(17)18(22)23)21-28(24,25)15-7-4-10(20)9-12(15)19/h2-9,21H,1H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17613
PNG
(3-butyl-6-[(4-fluorobenzene)sulfonamido]-2-methylb...)
Show SMILES CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
Show InChI InChI=1S/C18H20FNO4S/c1-3-4-5-13-6-11-16(17(12(13)2)18(21)22)20-25(23,24)15-9-7-14(19)8-10-15/h6-11,20H,3-5H2,1-2H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17615
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9g...)
Show SMILES CC(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
Show InChI InChI=1S/C16H16FNO5S/c1-9-13(10(2)19)7-8-14(15(9)16(20)21)18-24(22,23)12-5-3-11(17)4-6-12/h3-8,10,18-19H,1-2H3,(H,20,21)
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n/an/a 2.50E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17626
PNG
(2-(carboxymethoxy)-3-ethyl-6-[(4-fluorobenzene)sul...)
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCC(O)=O
Show InChI InChI=1S/C17H16FNO7S/c1-2-10-3-8-13(15(17(22)23)16(10)26-9-14(20)21)19-27(24,25)12-6-4-11(18)5-7-12/h3-8,19H,2,9H2,1H3,(H,20,21)(H,22,23)
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n/an/a 5.80E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17614
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9f...)
Show SMILES Cc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
Show InChI InChI=1S/C15H14FNO5S/c1-9-10(8-18)2-7-13(14(9)15(19)20)17-23(21,22)12-5-3-11(16)4-6-12/h2-7,17-18H,8H2,1H3,(H,19,20)
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n/an/a 8.00E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353649
PNG
(CHEMBL1829835)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353651
PNG
(CHEMBL1829841)
Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1S/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353647
PNG
(CHEMBL1829832)
Show SMILES OC(=O)CC(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353652
PNG
(CHEMBL1829842)
Show SMILES CCCc1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1S/C20H21IN2O2/c1-2-3-13-4-6-14(7-5-13)15(11-20(24)25)10-19-22-17-9-8-16(21)12-18(17)23-19/h4-9,12,15H,2-3,10-11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353649
PNG
(CHEMBL1829835)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353651
PNG
(CHEMBL1829841)
Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1S/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353653
PNG
(CHEMBL1829843)
Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353650
PNG
(CHEMBL1829837)
Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H13Cl2F3N2O2/c19-11-2-4-14-15(8-11)25-16(24-14)6-10(7-17(26)27)9-1-3-13(20)12(5-9)18(21,22)23/h1-5,8,10H,6-7H2,(H,24,25)(H,26,27)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353648
PNG
(CHEMBL1829833)
Show SMILES Cc1cc(Cl)cc2[nH]c(CC(CC(O)=O)c3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C18H16Cl2N2O2/c1-10-6-14(20)9-15-18(10)22-16(21-15)7-12(8-17(23)24)11-2-4-13(19)5-3-11/h2-6,9,12H,7-8H2,1H3,(H,21,22)(H,23,24)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353655
PNG
(CHEMBL1829834)
Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-2-4-14-15(8-11)22-16(21-14)6-10(7-17(23)24)9-1-3-12(19)13(20)5-9/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353654
PNG
(CHEMBL1829822)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClIN2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353652
PNG
(CHEMBL1829842)
Show SMILES CCCc1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
Show InChI InChI=1S/C20H21IN2O2/c1-2-3-13-4-6-14(7-5-13)15(11-20(24)25)10-19-22-17-9-8-16(21)12-18(17)23-19/h4-9,12,15H,2-3,10-11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17620
PNG
(5,6-disubstituted anthranilic acid sulfonamide, 9l...)
Show SMILES COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1c[nH]cn1
Show InChI InChI=1S/C17H13BrFN3O5S/c1-27-16-10(13-7-20-8-21-13)3-4-12(15(16)17(23)24)22-28(25,26)14-5-2-9(19)6-11(14)18/h2-8,22H,1H3,(H,20,21)(H,23,24)
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n/an/a 3.60E+4n/an/an/an/a7.422



Abbott Laboratories



Assay Description
A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with...


Bioorg Med Chem Lett 17: 2817-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.062
BindingDB Entry DOI: 10.7270/Q2PK0DD1
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353647
PNG
(CHEMBL1829832)
Show SMILES OC(=O)CC(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353654
PNG
(CHEMBL1829822)
Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClIN2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353655
PNG
(CHEMBL1829834)
Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-2-4-14-15(8-11)22-16(21-14)6-10(7-17(23)24)9-1-3-12(19)13(20)5-9/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353650
PNG
(CHEMBL1829837)
Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H13Cl2F3N2O2/c19-11-2-4-14-15(8-11)25-16(24-14)6-10(7-17(26)27)9-1-3-13(20)12(5-9)18(21,22)23/h1-5,8,10H,6-7H2,(H,24,25)(H,26,27)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))
BDBM50353648
PNG
(CHEMBL1829833)
Show SMILES Cc1cc(Cl)cc2[nH]c(CC(CC(O)=O)c3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C18H16Cl2N2O2/c1-10-6-14(20)9-15-18(10)22-16(21-15)7-12(8-17(23)24)11-2-4-13(19)5-3-11/h2-6,9,12H,7-8H2,1H3,(H,21,22)(H,23,24)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate


J Med Chem 54: 6714-23 (2011)


Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50399649
PNG
(CHEMBL2177659)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H17IO5/c23-17-9-7-14(8-10-17)19(24)12-18(20(21(25)26)22(27)28)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,18,20H,12H2,(H,25,26)(H,27,28)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry


J Med Chem 55: 9817-30 (2012)


Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50296954
PNG
((Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoi...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
Show InChI InChI=1S/C17H14BrFO2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10-
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n/an/an/a 6.20E+3n/an/an/an/an/a



Universit£tsklinikum Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to human PDPK1 Y288G/Q292A mutant expressed in insect cell system assessed as substrate phosphorylation by isothermal titration calo...


Nat Chem Biol 5: 758-64 (2009)


Article DOI: 10.1038/nchembio.208
BindingDB Entry DOI: 10.7270/Q2V98BXR
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50399645
PNG
(CHEMBL1213203)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C135H197N35O44S2/c1-9-67(5)107(129(210)148-69(7)109(190)158-92(60-104(184)185)123(204)162-91(122(203)167-96(65-215)132(213)214)59-73-63-147-77-29-18-17-27-75(73)77)169-126(207)90(58-72-33-35-74(172)36-34-72)161-125(206)94(62-106(188)189)164-121(202)89(57-71-25-15-12-16-26-71)160-124(205)93(61-105(186)187)163-111(192)78(30-20-51-145-134(140)141)149-120(201)88(56-70-23-13-11-14-24-70)159-117(198)85(49-54-216-8)155-116(197)83(40-46-101(178)179)151-112(193)80(37-43-98(137)173)150-113(194)81(38-44-99(174)175)152-114(195)82(39-45-100(176)177)153-115(196)84(41-47-102(180)181)154-127(208)95(64-171)166-119(200)87(55-66(3)4)165-130(211)108(68(6)10-2)168-118(199)79(31-21-52-146-135(142)143)156-128(209)97-32-22-53-170(97)131(212)86(42-48-103(182)183)157-110(191)76(136)28-19-50-144-133(138)139/h11-18,23-27,29,33-36,63,66-69,76,78-97,107-108,147,171-172,215H,9-10,19-22,28,30-32,37-62,64-65,136H2,1-8H3,(H2,137,173)(H,148,210)(H,149,201)(H,150,194)(H,151,193)(H,152,195)(H,153,196)(H,154,208)(H,155,197)(H,156,209)(H,157,191)(H,158,190)(H,159,198)(H,160,205)(H,161,206)(H,162,204)(H,163,192)(H,164,202)(H,165,211)(H,166,200)(H,167,203)(H,168,199)(H,169,207)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,213,214)(H4,138,139,144)(H4,140,141,145)(H4,142,143,146)/t67-,68-,69-,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,107-,108-/m0/s1
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n/an/an/an/a 1.42E+4n/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry


J Med Chem 55: 9817-30 (2012)


Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW
More data for this
Ligand-Target Pair
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