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BDBM50113048 (2R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-5-hydroxy-piperidine-2-carboxylic acid hydroxyamide::CHEMBL29007

SMILES: ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=GIGWICZCQGBJDH-CRAIPNDOSA-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 = 50113048   
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50113048
PNG
((2R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-5-hydroxy-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-6-11-18(19(23)20-24)21(12-15)28(25,26)17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-5,7-10,15,18,22,24H,6,11-13H2,(H,20,23)/t15-,18-/m1/s1
PDB
MMDB

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PubMed
n/an/a 3.00E+4n/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
ADAM17


(Homo sapiens (Human))
BDBM50113048
PNG
((2R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-5-hydroxy-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-6-11-18(19(23)20-24)21(12-15)28(25,26)17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-5,7-10,15,18,22,24H,6,11-13H2,(H,20,23)/t15-,18-/m1/s1
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PC sid
UniChem

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PubMed
n/an/a 7n/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
ADAM17


(Homo sapiens (Human))
BDBM50113048
PNG
((2R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-5-hydroxy-...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O6S/c22-15-6-11-18(19(23)20-24)21(12-15)28(25,26)17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-5,7-10,15,18,22,24H,6,11-13H2,(H,20,23)/t15-,18-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.40E+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