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BDBM50103101 (2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentanoic acid [(S)-2-methyl-1-(pyridin-2-ylcarbamoyl)-butyl]-amide::CHEMBL68667

SMILES: CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1

InChI Key: InChIKey=YPFZRQMUNBCBEG-YEBPUJJMSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50103101   
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
ADAM17


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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38n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP3)


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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55n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103101
PNG
((2R,3S)-3-(Formyl-hydroxy-amino)-2-isobutyl-pentan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC)N(O)C=O)C(=O)Nc1ccccn1
Show InChI InChI=1S/C21H34N4O4/c1-6-15(5)19(21(28)23-18-10-8-9-11-22-18)24-20(27)16(12-14(3)4)17(7-2)25(29)13-26/h8-11,13-17,19,29H,6-7,12H2,1-5H3,(H,24,27)(H,22,23,28)/t15?,16-,17+,19+/m1/s1
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73n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair