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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'grew' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102484
PNG
(2-(2-Amino-3-hydroxy-butyrylamino)-2-hydroxy-succi...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C8H14N2O7/c1-3(11)5(9)6(14)10-8(17,7(15)16)2-4(12)13/h3,5,11,17H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,5+,8-/m1/s1
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in absence of L-glutamic acid.


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234288
PNG
(CHEMBL4085113)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)CN1 |r|
Show InChI InChI=1S/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/m1./s1
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3.00E+3n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102484
PNG
(2-(2-Amino-3-hydroxy-butyrylamino)-2-hydroxy-succi...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C8H14N2O7/c1-3(11)5(9)6(14)10-8(17,7(15)16)2-4(12)13/h3,5,11,17H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,5+,8-/m1/s1
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4.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102486
PNG
(2-Phenyl-4,5-dihydro-oxazole-4,5-dicarboxylic acid...)
Show SMILES OC(=O)[C@H]1OC(=N[C@@H]1C(O)=O)c1ccccc1 |c:5|
Show InChI InChI=1S/C11H9NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)(H,15,16)/t7-,8-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in absence of L-glutamic acid in mammalian cells


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234283
PNG
(CHEMBL4060165)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Br)CN1 |r|
Show InChI InChI=1S/C12H14BrNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
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2.50E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234285
PNG
(CHEMBL4083894)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1 |r|
Show InChI InChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1
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3.00E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234284
PNG
(CHEMBL4083473)
Show SMILES Cl.Cc1ccccc1C[C@H]1CN[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C13H17NO2.ClH/c1-9-4-2-3-5-11(9)6-10-7-12(13(15)16)14-8-10;/h2-5,10,12,14H,6-8H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1
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3.80E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102486
PNG
(2-Phenyl-4,5-dihydro-oxazole-4,5-dicarboxylic acid...)
Show SMILES OC(=O)[C@H]1OC(=N[C@@H]1C(O)=O)c1ccccc1 |c:5|
Show InChI InChI=1S/C11H9NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)(H,15,16)/t7-,8-/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid in mammalian cells


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234291
PNG
(CHEMBL4068819)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)c(F)c2)CN1 |r|
Show InChI InChI=1S/C12H13F2NO2.ClH/c13-9-2-1-7(4-10(9)14)3-8-5-11(12(16)17)15-6-8;/h1-2,4,8,11,15H,3,5-6H2,(H,16,17);1H/t8-,11+;/m1./s1
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7.30E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102487
PNG
(2-Phenyl-oxazole-4,5-dicarboxylic acid | CHEMBL841...)
Show SMILES OC(=O)c1nc(oc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
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7.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in absence of L-glutamic acid.


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234287
PNG
(CHEMBL4100876)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CN1 |r|
Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-2-8(5-10)4-9-6-11(12(18)19)17-7-9;/h1-3,5,9,11,17H,4,6-7H2,(H,18,19);1H/t9-,11+;/m1./s1
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7.70E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234280
PNG
(CHEMBL4071517)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1 |r|
Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
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8.30E+4n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234279
PNG
(CHEMBL4078902)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1 |r|
Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-3-1-2-8(5-10)4-9-6-11(12(15)16)14-7-9;/h1-3,5,9,11,14H,4,6-7H2,(H,15,16);1H/t9-,11+;/m1./s1
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1.77E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234278
PNG
(CHEMBL4103180)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1 |r|
Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-3-1-8(2-4-10)5-9-6-11(12(15)16)14-7-9;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9-,11+;/m1./s1
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1.90E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234282
PNG
(CHEMBL4097017)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Cl)CN1 |r|
Show InChI InChI=1S/C12H14ClNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
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1.95E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234286
PNG
(CHEMBL4064465)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2C(F)(F)F)CN1 |r|
Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-1-3-9(10)5-8-6-11(12(18)19)17-7-8;/h1-4,8,11,17H,5-7H2,(H,18,19);1H/t8-,11+;/m1./s1
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2.20E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234292
PNG
(CHEMBL4080252)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)C(F)(F)F)CN1 |r|
Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/m1./s1
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3.60E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234290
PNG
(CHEMBL4098554)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2[N+]([O-])=O)CN1 |r|
Show InChI InChI=1S/C12H14N2O4.ClH/c15-12(16)10-6-8(7-13-10)5-9-3-1-2-4-11(9)14(17)18;/h1-4,8,10,13H,5-7H2,(H,15,16);1H/t8-,10+;/m1./s1
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3.73E+5n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Rattus norvegicus)
BDBM50102487
PNG
(2-Phenyl-oxazole-4,5-dicarboxylic acid | CHEMBL841...)
Show SMILES OC(=O)c1nc(oc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C11H7NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)
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5.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid.


J Med Chem 44: 2507-10 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8NFZ
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50234289
PNG
(CHEMBL4068036)
Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C12H15NO2.ClH/c14-12(15)11-7-10(8-13-11)6-9-4-2-1-3-5-9;/h1-5,10-11,13H,6-8H2,(H,14,15);1H/t10-,11+;/m1./s1
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2.00E+6n/an/an/an/an/an/an/an/a



Binghamton University

Curated by ChEMBL


Assay Description
Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...


Bioorg Med Chem Lett 27: 398-402 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.063
BindingDB Entry DOI: 10.7270/Q2HX1FXF
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131303
PNG
((S)-2-[(R)-2-Cyclohexylmethyl-3-(formyl-hydroxy-am...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16(18(25)21(4)5)20-17(24)15(12-22(26)13-23)11-14-9-7-6-8-10-14/h13-16,26H,6-12H2,1-5H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50104501
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131290
PNG
((S)-2-[(R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-a...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15(17(24)20(4)5)19-16(23)14(11-21(25)12-22)10-13-8-6-7-9-13/h12-15,25H,6-11H2,1-5H3,(H,19,23)/t14-,15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131292
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pen...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-11(2)8-12(9-19(23)10-20)14(21)17-13(16(3,4)5)15(22)18(6)7/h10-13,23H,8-9H2,1-7H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131304
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-7-8-9-10-13(11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131295
PNG
((S)-2-[(R)-2-Ethylsulfanylmethyl-3-(formyl-hydroxy...)
Show SMILES CCSC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4S/c1-7-23-9-11(8-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h10-12,22H,7-9H2,1-6H3,(H,16,20)/t11-,12+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131307
PNG
((S)-2-[(R)-2-Cyclopentyl-3-(formyl-hydroxy-amino)-...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)C1CCCC1)C(C)(C)C
Show InChI InChI=1S/C17H31N3O4/c1-17(2,3)14(16(23)19(4)5)18-15(22)13(10-20(24)11-21)12-8-6-7-9-12/h11-14,24H,6-10H2,1-5H3,(H,18,22)/t13-,14+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131301
PNG
((S)-2-[(R)-2-Benzyl-3-(formyl-hydroxy-amino)-propi...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)16(18(25)21(4)5)20-17(24)15(12-22(26)13-23)11-14-9-7-6-8-10-14/h6-10,13,15-16,26H,11-12H2,1-5H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131302
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-5-methyl-hex...)
Show SMILES CC(C)CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-12(2)8-9-13(10-20(24)11-21)15(22)18-14(17(3,4)5)16(23)19(6)7/h11-14,24H,8-10H2,1-7H3,(H,18,22)/t13-,14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131288
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hex-5-enoic ...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CCC=C)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C16H29N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h7,11-13,23H,1,8-10H2,2-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131289
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-pent-4-enoic...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC=C)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C15H27N3O4/c1-7-8-11(9-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h7,10-12,22H,1,8-9H2,2-6H3,(H,16,20)/t11-,12-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131296
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hex-4-ynoic ...)
Show SMILES CC#CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H27N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,9-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131291
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-octanoic aci...)
Show SMILES CCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C18H35N3O4/c1-7-8-9-10-11-14(12-21(25)13-22)16(23)19-15(18(2,3)4)17(24)20(5)6/h13-15,25H,7-12H2,1-6H3,(H,19,23)/t14-,15-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131297
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-nonanoic aci...)
Show SMILES CCCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C19H37N3O4/c1-7-8-9-10-11-12-15(13-22(26)14-23)17(24)20-16(19(2,3)4)18(25)21(5)6/h14-16,26H,7-13H2,1-6H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131306
PNG
((R)-N-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propyl...)
Show SMILES CC(C)[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-10(2)11(8-18(22)9-19)13(20)16-12(15(3,4)5)14(21)17(6)7/h9-12,22H,8H2,1-7H3,(H,16,20)/t11-,12+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131293
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-pentanoic ac...)
Show SMILES CCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-7-8-11(9-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h10-12,22H,7-9H2,1-6H3,(H,16,20)/t11-,12-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131287
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-decanoic aci...)
Show SMILES CCCCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C20H39N3O4/c1-7-8-9-10-11-12-13-16(14-23(27)15-24)18(25)21-17(20(2,3)4)19(26)22(5)6/h15-17,27H,7-14H2,1-6H3,(H,21,25)/t16-,17-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131308
PNG
((S)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131299
PNG
((S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-butyr...)
Show SMILES CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C14H27N3O4/c1-7-10(8-17(21)9-18)12(19)15-11(14(2,3)4)13(20)16(5)6/h9-11,21H,7-8H2,1-6H3,(H,15,19)/t10-,11-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131305
PNG
((S)-2-[(R)-3-(Formyl-hydroxy-amino)-2-methyl-propi...)
Show SMILES C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C13H25N3O4/c1-9(7-16(20)8-17)11(18)14-10(13(2,3)4)12(19)15(5)6/h8-10,20H,7H2,1-6H3,(H,14,18)/t9-,10-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131286
PNG
((S)-2-[(R)-3-(Formyl-hydroxy-amino)-2-(4-methoxy-b...)
Show SMILES COc1ccc(C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C20H31N3O5/c1-20(2,3)17(19(26)22(4)5)21-18(25)15(12-23(27)13-24)11-14-7-9-16(28-6)10-8-14/h7-10,13,15,17,27H,11-12H2,1-6H3,(H,21,25)/t15-,17-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131309
PNG
((S)-2-[(R)-2-(4-Chloro-phenyl)-3-(formyl-hydroxy-a...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C18H26ClN3O4/c1-18(2,3)15(17(25)21(4)5)20-16(24)14(10-22(26)11-23)12-6-8-13(19)9-7-12/h6-9,11,14-15,26H,10H2,1-5H3,(H,20,24)/t14-,15+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131298
PNG
((R)-2-[1-(Formyl-hydroxy-amino)-ethyl]-hexanoic ac...)
Show SMILES CCCC[C@H](C(C)N(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-8-9-10-13(12(2)20(24)11-21)15(22)18-14(17(3,4)5)16(23)19(6)7/h11-14,24H,8-10H2,1-7H3,(H,18,22)/t12?,13-,14-/m1/s1
PDB
MMDB

KEGG

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PubMed
n/an/a 600n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131300
PNG
((R)-2-[2-(Formyl-hydroxy-amino)-ethyl]-hexanoic ac...)
Show SMILES CCCC[C@H](CCN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-7-8-9-13(10-11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
PDB
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KEGG

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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50131294
PNG
((S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-3-pip...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)CN1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C18H34N4O4/c1-18(2,3)15(17(25)20(4)5)19-16(24)14(12-22(26)13-23)11-21-9-7-6-8-10-21/h13-15,26H,6-12H2,1-5H3,(H,19,24)/t14-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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UniChem

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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)


BindingDB Entry DOI: 10.7270/Q2XW4J6S
More data for this
Ligand-Target Pair