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BDBM50113041 (2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzyloxy)-benzenesulfonyl]-piperidine-2-carboxylic acid hydroxyamide::CHEMBL27965

SMILES: ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1

InChI Key: InChIKey=TVRQFUFQUOUOJG-RDTXWAMCSA-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 = 50113041   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
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n/an/a 1.50E+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))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
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PC sid
UniChem

Patents

PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL




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))
BDBM50113041
PNG
((2R,5R)-5-Hydroxy-1-[4-(2-trifluoromethyl-benzylox...)
Show SMILES ONC(=O)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O6S/c21-20(22,23)17-4-2-1-3-13(17)12-31-15-6-8-16(9-7-15)32(29,30)25-11-14(26)5-10-18(25)19(27)24-28/h1-4,6-9,14,18,26,28H,5,10-12H2,(H,24,27)/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 5n/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