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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ADAM17' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50279256
PNG
(CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1
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Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Mus musculus)
BDBM50279257
PNG
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methox...)
Show SMILES COc1ccc2[nH]cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1
Show InChI InChI=1S/C22H22N2O6S/c1-3-4-11-30-16-5-8-18(9-6-16)31(27,28)24-21(22(25)26)12-15-14-23-20-10-7-17(29-2)13-19(15)20/h5-10,13-14,21,23-24H,11-12H2,1-2H3,(H,25,26)
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Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs...


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Mus musculus)
BDBM50278942
PNG
(CHEMBL499905 | D-2-(4-(but-2-ynyloxy)phenylsulfona...)
Show SMILES COc1ccc(Cn2cc(C[C@@H](NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C29H28N2O6S/c1-3-4-17-37-24-13-15-25(16-14-24)38(34,35)30-27(29(32)33)18-22-20-31(28-8-6-5-7-26(22)28)19-21-9-11-23(36-2)12-10-21/h5-16,20,27,30H,17-19H2,1-2H3,(H,32,33)/t27-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs...


Citation and Details
More data for this
Ligand-Target Pair