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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50113032'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50113032
PNG
((2R,4S)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
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PubMed
n/an/a 67n/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))
BDBM50113032
PNG
((2R,4S)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C19H21FN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a>3.00E+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