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BDBM50113024 (2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]-4-hydroxy-piperidine-2-carboxylic acid hydroxyamide::CHEMBL285591

SMILES: ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1

InChI Key: InChIKey=FCLQINRREQAAHO-MAUKXSAKSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50113024   
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))
BDBM50113024
PNG
((2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1
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MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 12: 1387-90 (2002)


BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50113024
PNG
((2R,4S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-14-3-1-13(2-4-14)12-28-16-5-7-17(8-6-16)29(26,27)22-10-9-15(23)11-18(22)19(24)21-25/h1-8,15,18,23,25H,9-12H2,(H,21,24)/t15-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 12: 1387-90 (2002)


BindingDB Entry DOI: 10.7270/Q2GQ6X30
More data for this
Ligand-Target Pair