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BDBM50113049 (2R,4R)-2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid methyl ester::CHEMBL31928

SMILES: COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=WRHBZMDBWRLMMM-ZWNOBZJWSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50113049   
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))
BDBM50113049
PNG
((2R,4R)-2-Hydroxycarbamoyl-1-(4-methoxy-benzenesul...)
Show SMILES COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C15H20N2O7S/c1-23-11-3-5-12(6-4-11)25(21,22)17-8-7-10(15(19)24-2)9-13(17)14(18)16-20/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,18)/t10-,13-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 9.60E+3n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113049
PNG
((2R,4R)-2-Hydroxycarbamoyl-1-(4-methoxy-benzenesul...)
Show SMILES COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C15H20N2O7S/c1-23-11-3-5-12(6-4-11)25(21,22)17-8-7-10(15(19)24-2)9-13(17)14(18)16-20/h3-6,10,13,20H,7-9H2,1-2H3,(H,16,18)/t10-,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined


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


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