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Compile Data Set for Download or QSAR

Found 87 hits from Centre National de la Recherche Scientifique   
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
Peptide deformylase


(Escherichia coli)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 10n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201884
PNG
(5-bromo-3-hydroxycarbamoylmethylindole-1-carboxyli...)
Show SMILES ONCC(=O)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12
Show InChI InChI=1S/C19H17BrN2O4/c20-15-6-7-18-17(9-15)14(8-16(23)10-21-25)11-22(18)19(24)26-12-13-4-2-1-3-5-13/h1-7,9,11,21,25H,8,10,12H2
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n/an/a 27n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201878
PNG
(CHEMBL220027 | N-(1-benzenesulfonyl-5-bromo-2-meth...)
Show SMILES Cc1c(CN(O)C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15BrN2O4S/c1-12-16(10-19(22)11-21)15-9-13(18)7-8-17(15)20(12)25(23,24)14-5-3-2-4-6-14/h2-9,11,22H,10H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201870
PNG
(2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide | CHE...)
Show SMILES ONCC(=O)Cc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C11H11BrN2O2/c12-8-1-2-11-10(4-8)7(5-13-11)3-9(15)6-14-16/h1-2,4-5,13-14,16H,3,6H2
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n/an/a 35n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 40n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201888
PNG
((1-hydroxycarbamoylmethyl-2-phenylethyl)carbamic a...)
Show SMILES CC(C)(C)OC(=O)NC(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1/C15H22N2O4/c1-15(2,3)21-14(19)16-12(10-13(18)17-20)9-11-7-5-4-6-8-11/h4-8,12,20H,9-10H2,1-3H3,(H,16,19)(H,17,18)
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n/an/a 44n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201881
PNG
((1-hydroxycarbamoylmethyl-2-phenylethyl)carbamic a...)
Show SMILES CC(C)(C)OC(=O)NC(CN(O)C=O)Cc1ccccc1
Show InChI InChI=1/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)
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n/an/a 50n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201876
PNG
(2-(5-chloro-1H-indol-3-yl)-N-hydroxyacetamide | CH...)
Show SMILES ONCC(=O)Cc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C11H11ClN2O2/c12-8-1-2-11-10(4-8)7(5-13-11)3-9(15)6-14-16/h1-2,4-5,13-14,16H,3,6H2
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n/an/a 80n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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US Patent
n/an/a 120n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Escherichia coli)
BDBM50201877
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-hydroxyacetamide | CH...)
Show SMILES ONCC(=O)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C11H11FN2O2/c12-8-1-2-11-10(4-8)7(5-13-11)3-9(15)6-14-16/h1-2,4-5,13-14,16H,3,6H2
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n/an/a 160n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299247
PNG
(1-(1,10-Dihydropyrrolo[2,3-a]carbazol-3-yl)-2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)15(22)11-7-20-13-10(11)6-5-9-8-3-1-2-4-12(8)21-14(9)13/h1-7,20-21H
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n/an/a 170n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 200n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 210n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201873
PNG
(2-(6-bromo-1H-indol-3-yl)-N-hydroxyacetamide | CHE...)
Show SMILES ONCC(=O)Cc1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C11H11BrN2O2/c12-8-1-2-10-7(3-9(15)6-14-16)5-13-11(10)4-8/h1-2,4-5,13-14,16H,3,6H2
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n/an/a 210n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50299246
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole | CHEM...)
Show SMILES Brc1ccc2[nH]c3c(ccc4cc[nH]c34)c2c1
Show InChI InChI=1S/C14H9BrN2/c15-9-2-4-12-11(7-9)10-3-1-8-5-6-16-13(8)14(10)17-12/h1-7,16-17H
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n/an/a 440n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 510n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299245
PNG
(7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-4-13-12(5-9)11-3-2-10-8(7-19)6-17-14(10)15(11)18-13/h1-7,17-18H
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n/an/a 570n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial PDF


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 620n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 650n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299250
PNG
(7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]c...)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c2c1
Show InChI InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
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n/an/a 660n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50299248
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide ...)
Show SMILES NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
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n/an/a 780n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
Inhibition assay using PIM-1, PIM-2 and PIM-3.


US Patent US8481586 (2013)


BindingDB Entry DOI: 10.7270/Q2ZC81GT
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201879
PNG
(2-(indol-3-yl)-N-hydroxyacetamide | CHEMBL216665)
Show SMILES ONCC(=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H12N2O2/c14-9(7-13-15)5-8-6-12-11-4-2-1-3-10(8)11/h1-4,6,12-13,15H,5,7H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153482
PNG
(US8999955, 5-hydroxy-9-methoxy-1-trimethylsilanyl-...)
Show SMILES COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C
Show InChI InChI=1/C20H23NO3Si/c1-24-13-6-5-11-7-14-16(22)8-12-9-17(23)20(25(2,3)4)18(12)19(14)21-15(11)10-13/h5-7,10,12,16,22H,8-9H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153481
PNG
(US8999955, 5-hydroxy-8-methoxy-1-trimethylsilanyl-...)
Show SMILES COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C
Show InChI InChI=1/C20H23NO3Si/c1-24-13-5-6-15-11(7-13)8-14-16(22)9-12-10-17(23)20(25(2,3)4)18(12)19(14)21-15/h5-8,12,16,22H,9-10H2,1-4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153483
PNG
(US8999955, 5-hydroxy-8,9-methoxy-1-trimethylsilany...)
Show SMILES COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C
Show InChI InChI=1/C21H25NO4Si/c1-25-17-9-11-6-13-15(23)7-12-8-16(24)21(27(3,4)5)19(12)20(13)22-14(11)10-18(17)26-2/h6,9-10,12,15,23H,7-8H2,1-5H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201871
PNG
(2-(4-fluoro-1H-indol-3-yl)-N-hydroxyacetamide | CH...)
Show SMILES ONCC(=O)Cc1c[nH]c2cccc(F)c12
Show InChI InChI=1S/C11H11FN2O2/c12-9-2-1-3-10-11(9)7(5-13-10)4-8(15)6-14-16/h1-3,5,13-14,16H,4,6H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201872
PNG
(2-(5-bromo-2-methyl-1H-indolyl)-N-hydroxyacetamide...)
Show SMILES Cc1[nH]c2ccc(Br)cc2c1CC(=O)CNO
Show InChI InChI=1S/C12H13BrN2O2/c1-7-10(5-9(16)6-14-17)11-4-8(13)2-3-12(11)15-7/h2-4,14-15,17H,5-6H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153483
PNG
(US8999955, 5-hydroxy-8,9-methoxy-1-trimethylsilany...)
Show SMILES COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C
Show InChI InChI=1/C21H25NO4Si/c1-25-17-9-11-6-13-15(23)7-12-8-16(24)21(27(3,4)5)19(12)20(13)22-14(11)10-18(17)26-2/h6,9-10,12,15,23H,7-8H2,1-5H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153480
PNG
(US8999955, 5-chloro-1-trimethylsilanyl-3,3a,4,5-te...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21
Show InChI InChI=1/C19H20ClNOSi/c1-23(2,3)19-16(22)10-12-9-14(20)13-8-11-6-4-5-7-15(11)21-18(13)17(12)19/h4-8,12,14H,9-10H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153481
PNG
(US8999955, 5-hydroxy-8-methoxy-1-trimethylsilanyl-...)
Show SMILES COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C
Show InChI InChI=1/C20H23NO3Si/c1-24-13-5-6-15-11(7-13)8-14-16(22)9-12-10-17(23)20(25(2,3)4)18(12)19(14)21-15/h5-8,12,16,22H,9-10H2,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153482
PNG
(US8999955, 5-hydroxy-9-methoxy-1-trimethylsilanyl-...)
Show SMILES COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C
Show InChI InChI=1/C20H23NO3Si/c1-24-13-6-5-11-7-14-16(22)8-12-9-17(23)20(25(2,3)4)18(12)19(14)21-15(11)10-13/h5-7,10,12,16,22H,8-9H2,1-4H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201891
PNG
(CHEMBL376018 | N-((5-bromo-2-methyl-1(phenylsulfon...)
Show SMILES Cc1c(CNO)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H15BrN2O3S/c1-11-15(10-18-20)14-9-12(17)7-8-16(14)19(11)23(21,22)13-5-3-2-4-6-13/h2-9,18,20H,10H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201875
PNG
(2-(5-methoxy-1H-indol-3-yl)-N-hydroxyacetamide | C...)
Show SMILES COc1ccc2[nH]cc(CC(=O)CNO)c2c1
Show InChI InChI=1S/C12H14N2O3/c1-17-10-2-3-12-11(5-10)8(6-13-12)4-9(15)7-14-16/h2-3,5-6,13-14,16H,4,7H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50201884
PNG
(5-bromo-3-hydroxycarbamoylmethylindole-1-carboxyli...)
Show SMILES ONCC(=O)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12
Show InChI InChI=1S/C19H17BrN2O4/c20-15-6-7-18-17(9-15)14(8-16(23)10-21-25)11-22(18)19(24)26-12-13-4-2-1-3-5-13/h1-7,9,11,21,25H,8,10,12H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153477
PNG
(US8999955, 5-hydroxy-1-trimethylsilanyl-3,3a,4,5-t...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21
Show InChI InChI=1/C19H21NO2Si/c1-23(2,3)19-16(22)10-12-9-15(21)13-8-11-6-4-5-7-14(11)20-18(13)17(12)19/h4-8,12,15,21H,9-10H2,1-3H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50201878
PNG
(CHEMBL220027 | N-(1-benzenesulfonyl-5-bromo-2-meth...)
Show SMILES Cc1c(CN(O)C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15BrN2O4S/c1-12-16(10-19(22)11-21)15-9-13(18)7-8-17(15)20(12)25(23,24)14-5-3-2-4-6-14/h2-9,11,22H,10H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201874
PNG
(CHEMBL425293 | N-[2-(5-bromo-2-methyl-1H-indole-3-...)
Show SMILES Cc1[nH]c2ccc(Br)cc2c1CNO
Show InChI InChI=1S/C10H11BrN2O/c1-6-9(5-12-14)8-4-7(11)2-3-10(8)13-6/h2-4,12-14H,5H2,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201880
PNG
((1-hydroxyaminomethyl-2-phenylethyl)carbamic acid ...)
Show SMILES CC(C)(C)OC(=O)NC(CNO)Cc1ccccc1
Show InChI InChI=1/C14H22N2O3/c1-14(2,3)19-13(17)16-12(10-15-18)9-11-7-5-4-6-8-11/h4-8,12,15,18H,9-10H2,1-3H3,(H,16,17)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM153480
PNG
(US8999955, 5-chloro-1-trimethylsilanyl-3,3a,4,5-te...)
Show SMILES C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21
Show InChI InChI=1/C19H20ClNOSi/c1-23(2,3)19-16(22)10-12-9-14(20)13-8-11-6-4-5-7-15(11)21-18(13)17(12)19/h4-8,12,14H,9-10H2,1-3H3
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US Patent
n/an/a 6.30E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

US Patent


Assay Description
The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic a...


US Patent US8999955 (2015)


BindingDB Entry DOI: 10.7270/Q25X27P3
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201887
PNG
(1-(5-bromo-1H-indol-3-yl)-3-mercaptopropan-2-one |...)
Show SMILES SCC(=O)Cc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C11H10BrNOS/c12-8-1-2-11-10(4-8)7(5-13-11)3-9(14)6-15/h1-2,4-5,13,15H,3,6H2
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n/an/a 8.00E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50201888
PNG
((1-hydroxycarbamoylmethyl-2-phenylethyl)carbamic a...)
Show SMILES CC(C)(C)OC(=O)NC(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1/C15H22N2O4/c1-15(2,3)21-14(19)16-12(10-13(18)17-20)9-11-7-5-4-6-8-11/h4-8,12,20H,9-10H2,1-3H3,(H,16,19)(H,17,18)
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n/an/a 8.30E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50201869
PNG
(CHEMBL376222 | thioacetic acid S-[3-(5-bromo-1H-in...)
Show SMILES CC(=O)SCC(=O)Cc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C13H12BrNO2S/c1-8(16)18-7-11(17)4-9-6-15-13-3-2-10(14)5-12(9)13/h2-3,5-6,15H,4,7H2,1H3
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PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of PDF1B


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50201870
PNG
(2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide | CHE...)
Show SMILES ONCC(=O)Cc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C11H11BrN2O2/c12-8-1-2-11-10(4-8)7(5-13-11)3-9(15)6-14-16/h1-2,4-5,13-14,16H,3,6H2
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n/an/a 1.30E+5n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase 1A, chloroplastic


(Arabidopsis thaliana)
BDBM50201881
PNG
((1-hydroxycarbamoylmethyl-2-phenylethyl)carbamic a...)
Show SMILES CC(C)(C)OC(=O)NC(CN(O)C=O)Cc1ccccc1
Show InChI InChI=1/C15H22N2O4/c1-15(2,3)21-14(19)16-13(10-17(20)11-18)9-12-7-5-4-6-8-12/h4-8,11,13,20H,9-10H2,1-3H3,(H,16,19)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana mitochondrial PDF1A


J Med Chem 50: 10-20 (2007)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
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