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BDBM50167620 (2R,5R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzenesulfonyl]-5-hydroxy-piperidine-2-carboxylic acid hydroxyamide::CHEMBL191030

SMILES: Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO

InChI Key: InChIKey=XQUSEXYSIGIEBX-VQIMIIECSA-N

Data: 3 IC50

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 3 hits for monomerid = 50167620   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50167620
PNG
((2R,5R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)/t16-,19-/m1/s1
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Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Pfizer Global Research and Development Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha converting enzyme


Bioorg Med Chem Lett 15: 2808-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.105
BindingDB Entry DOI: 10.7270/Q2BC3Z24
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50167620
PNG
((2R,5R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)/t16-,19-/m1/s1
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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 15: 2808-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.105
BindingDB Entry DOI: 10.7270/Q2BC3Z24
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50167620
PNG
((2R,5R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)/t16-,19-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development Groton Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-1 (MMP-1)


Bioorg Med Chem Lett 15: 2808-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.105
BindingDB Entry DOI: 10.7270/Q2BC3Z24
More data for this
Ligand-Target Pair