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13 molecules are shown

Compile data set for download or QSAR
Wt: 413.5
BDBM50071243
Wt: 415.5
BDBM50071244
Wt: 371.4
BDBM50071245
Wt: 427.5
BDBM50071246
Wt: 441.5
BDBM50071248
Wt: 427.5
BDBM50071250
Wt: 413.5
BDBM50071251
Wt: 427.5
BDBM50071253
Wt: 385.4
BDBM50071255
Wt: 385.4
BDBM50071256
Wt: 385.4
BDBM50089194
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Wt: 357.4
BDBM50109170
Wt: 401.4
BDBM50146631
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50071243,50071244,50071245,50071246,50071248,50071250,50071251,50071253,50071255,50071256,50089194,50109170,50146631   
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 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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0.300n/an/an/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Peptide deformylase


Bioorg Med Chem Lett 13: 3273-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00675-9
BindingDB Entry DOI: 10.7270/Q2FN15MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix Metalloproteinase-8 (MMP-8)


(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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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(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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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(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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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Meprin A subunit beta


(Homo sapiens)
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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2.00E+3n/an/an/an/an/an/an/an/a



Fraunhofer Institute for Cell Therapy and Immunology IZI

Curated by ChEMBL


Assay Description
Inhibition of human meprin beta expressed in baculovirus infected BTI-TN-5B1-4 insect cells using N-benzoyl-L-tyrosylp-aminobenzoic acid as substrate


Bioorg Med Chem Lett 27: 2428-2431 (2017)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071250
PNG
(CHEMBL292545 | [(S)-3-((R)-2-Hydroxycarbamoylmethy...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C21H37N3O6/c1-3-4-5-6-7-8-11-16(14-18(25)23-29)20(27)22-17-12-9-10-13-24(21(17)28)15-19(26)30-2/h16-17,29H,3-15H2,1-2H3,(H,22,27)(H,23,25)/t16-,17+/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071251
PNG
(CHEMBL62436 | [(S)-3-((2R,3R)-3-Hydroxycarbamoyl-2...)
Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O)C(=O)NO
Show InChI InChI=1S/C20H35N3O6/c1-5-8-14(19(26)22-28)15(11-13(2)3)18(25)21-16-9-6-7-10-23(20(16)27)12-17(24)29-4/h13-16,28H,5-12H2,1-4H3,(H,21,25)(H,22,26)/t14-,15-,16+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071251
PNG
(CHEMBL62436 | [(S)-3-((2R,3R)-3-Hydroxycarbamoyl-2...)
Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O)C(=O)NO
Show InChI InChI=1S/C20H35N3O6/c1-5-8-14(19(26)22-28)15(11-13(2)3)18(25)21-16-9-6-7-10-23(20(16)27)12-17(24)29-4/h13-16,28H,5-12H2,1-4H3,(H,21,25)(H,22,26)/t14-,15-,16+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071246
PNG
((2R,3R)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...)
Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071253
PNG
((2R,3S)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...)
Show SMILES CCCCCCCC[C@H]([C@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18+,19-/m0/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071253
PNG
((2R,3S)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...)
Show SMILES CCCCCCCC[C@H]([C@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18+,19-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071255
PNG
(CHEMBL61679 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C18H31N3O6/c1-3-4-5-8-13(11-15(22)20-26)17(24)19-14-9-6-7-10-21(18(14)25)12-16(23)27-2/h13-14,26H,3-12H2,1-2H3,(H,19,24)(H,20,22)/t13-,14+/m1/s1
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n/an/a 824n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071250
PNG
(CHEMBL292545 | [(S)-3-((R)-2-Hydroxycarbamoylmethy...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C21H37N3O6/c1-3-4-5-6-7-8-11-16(14-18(25)23-29)20(27)22-17-12-9-10-13-24(21(17)28)15-19(26)30-2/h16-17,29H,3-15H2,1-2H3,(H,22,27)(H,23,25)/t16-,17+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071255
PNG
(CHEMBL61679 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C18H31N3O6/c1-3-4-5-8-13(11-15(22)20-26)17(24)19-14-9-6-7-10-21(18(14)25)12-16(23)27-2/h13-14,26H,3-12H2,1-2H3,(H,19,24)(H,20,22)/t13-,14+/m1/s1
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n/an/a 129n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071248
PNG
(CHEMBL416857 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...)
Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C22H39N3O6/c1-4-5-6-7-8-9-12-17(16(2)20(27)24-30)21(28)23-18-13-10-11-14-25(22(18)29)15-19(26)31-3/h16-18,30H,4-15H2,1-3H3,(H,23,28)(H,24,27)/t16-,17-,18+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071243
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-methoxy-ethyl)-2-o...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C21H39N3O5/c1-3-4-5-6-7-8-11-17(16-19(25)23-28)20(26)22-18-12-9-10-13-24(21(18)27)14-15-29-2/h17-18,28H,3-16H2,1-2H3,(H,22,26)(H,23,25)/t17-,18+/m1/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071244
PNG
((2R,3R)-N*1*-Hydroxy-2-(3-hydroxy-propyl)-3-isobut...)
Show SMILES COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CCCO)C(=O)NO)C1=O
Show InChI InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,17+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071256
PNG
(CHEMBL417574 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...)
Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C1=O
Show InChI InChI=1S/C18H31N3O6/c1-11(2)9-13(12(3)16(23)20-26)17(24)19-14-7-5-6-8-21(18(14)25)10-15(22)27-4/h11-14,26H,5-10H2,1-4H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1
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n/an/a 215n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071256
PNG
(CHEMBL417574 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...)
Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C1=O
Show InChI InChI=1S/C18H31N3O6/c1-11(2)9-13(12(3)16(23)20-26)17(24)19-14-7-5-6-8-21(18(14)25)10-15(22)27-4/h11-14,26H,5-10H2,1-4H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(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 1.10E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neprilysin


(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 6.70E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of Neutral endopeptidase


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
Collagenase


(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 3.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
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 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Antibacterial activity of the compound against E. coli Peptide deformylase. Ni


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(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 6.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(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>1.00E+5n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Angiotensin I converting enzyme


Bioorg Med Chem Lett 11: 2585-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00509-1
BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50109170
PNG
(CHEMBL125553 | N*4*-Hydroxy-2-isobutyl-N*1*-[3-met...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C17H31N3O5/c1-10(2)6-13(8-15(22)20-25)16(23)19-14(7-11(3)4)17(24)18-12(5)9-21/h9-14,25H,6-8H2,1-5H3,(H,18,24)(H,19,23)(H,20,22)/t12-,13+,14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Cathepsin L from human kidney


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50109170
PNG
(CHEMBL125553 | N*4*-Hydroxy-2-isobutyl-N*1*-[3-met...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C=O
Show InChI InChI=1S/C17H31N3O5/c1-10(2)6-13(8-15(22)20-25)16(23)19-14(7-11(3)4)17(24)18-12(5)9-21/h9-14,25H,6-8H2,1-5H3,(H,18,24)(H,19,23)(H,20,22)/t12-,13+,14-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 12: 375-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00755-7
BindingDB Entry DOI: 10.7270/Q2J965P0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 2.70E+3n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay


Bioorg Med Chem Lett 21: 4528-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.129
BindingDB Entry DOI: 10.7270/Q2VT1SGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 140n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli peptide deformylase using fMAHA as substrate after 1 hr by FLUO assay


Bioorg Med Chem Lett 21: 4528-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.129
BindingDB Entry DOI: 10.7270/Q2VT1SGT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(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 4.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
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 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.


J Med Chem 43: 2324-31 (2000)


Article DOI: 10.1021/jm000018k
BindingDB Entry DOI: 10.7270/Q2QF8TJR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50146631
PNG
((S)-2-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methy...)
Show SMILES CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



De Novo Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


J Med Chem 47: 2761-7 (2004)


Article DOI: 10.1021/jm031061l
BindingDB Entry DOI: 10.7270/Q2ZG6T0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
3D
3D Structure (crystal)
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
3D
3D Structure (crystal)
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
3D
3D Structure (crystal)
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 1.5n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF)


Bioorg Med Chem Lett 13: 3273-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00675-9
BindingDB Entry DOI: 10.7270/Q2FN15MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Staphylococcus aureus)
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 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus peptide deformylase using N-formylmethionine-alanine-serine as substrate by spectrophotometry


J Nat Prod 75: 271-4 (2012)


Article DOI: 10.1021/np200720v
BindingDB Entry DOI: 10.7270/Q24B3299
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Staphylococcus aureus (strain Mu50 / ATCC 700699))
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<5n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus


Bioorg Med Chem Lett 14: 1477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.014
BindingDB Entry DOI: 10.7270/Q2MS3S6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071246
PNG
((2R,3R)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...)
Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071248
PNG
(CHEMBL416857 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...)
Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O
Show InChI InChI=1S/C22H39N3O6/c1-4-5-6-7-8-9-12-17(16(2)20(27)24-30)21(28)23-18-13-10-11-14-25(22(18)29)15-19(26)31-3/h16-18,30H,4-15H2,1-3H3,(H,23,28)(H,24,27)/t16-,17-,18+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50071245
PNG
(CHEMBL62709 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...)
Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C1=O
Show InChI InChI=1S/C17H29N3O6/c1-11(2)8-12(9-14(21)19-25)16(23)18-13-6-4-5-7-20(17(13)24)10-15(22)26-3/h11-13,25H,4-10H2,1-3H3,(H,18,23)(H,19,21)/t12-,13+/m1/s1
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n/an/a 225n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50071244
PNG
((2R,3R)-N*1*-Hydroxy-2-(3-hydroxy-propyl)-3-isobut...)
Show SMILES COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CCCO)C(=O)NO)C1=O
Show InChI InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,17+/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071243
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-methoxy-ethyl)-2-o...)
Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O
Show InChI InChI=1S/C21H39N3O5/c1-3-4-5-6-7-8-11-17(16-19(25)23-28)20(26)22-18-12-9-10-13-24(21(18)27)14-15-29-2/h17-18,28H,3-16H2,1-2H3,(H,22,26)(H,23,25)/t17-,18+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
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 8.20E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071245
PNG
(CHEMBL62709 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...)
Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C1=O
Show InChI InChI=1S/C17H29N3O6/c1-11(2)8-12(9-14(21)19-25)16(23)18-13-6-4-5-7-20(17(13)24)10-15(22)26-3/h11-13,25H,4-10H2,1-3H3,(H,18,23)(H,19,21)/t12-,13+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3)


Bioorg Med Chem Lett 8: 2077-80 (1999)


Article DOI: 10.1016/s0960-894x(98)00370-9
BindingDB Entry DOI: 10.7270/Q2RJ4HN6
More data for this
Ligand-Target Pair