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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50113028'   
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
ADAM17


(Homo sapiens (Human))
BDBM50113028
PNG
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 6n/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))
BDBM50113028
PNG
((2R,4S)-4-Hydroxy-1-[4-(2-methyl-benzyloxy)-benzen...)
Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CC[C@H](O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H24N2O6S/c1-14-4-2-3-5-15(14)13-28-17-6-8-18(9-7-17)29(26,27)22-11-10-16(23)12-19(22)20(24)21-25/h2-9,16,19,23,25H,10-13H2,1H3,(H,21,24)/t16-,19+/m0/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 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