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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50197209   
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))
BDBM50197209
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O7S2/c1-2-3-17-32-19-7-9-20(10-8-19)33(28,29)18-22(21(26)23-27)11-15-25(16-12-22)34(30,31)24-13-5-4-6-14-24/h7-10,27H,4-6,11-18H2,1H3,(H,23,26)
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n/an/a 1.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood assay


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50197209
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O7S2/c1-2-3-17-32-19-7-9-20(10-8-19)33(28,29)18-22(21(26)23-27)11-15-25(16-12-22)34(30,31)24-13-5-4-6-14-24/h7-10,27H,4-6,11-18H2,1H3,(H,23,26)
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n/an/a 51n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50197209
PNG
(4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)N1CCCCC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O7S2/c1-2-3-17-32-19-7-9-20(10-8-19)33(28,29)18-22(21(26)23-27)11-15-25(16-12-22)34(30,31)24-13-5-4-6-14-24/h7-10,27H,4-6,11-18H2,1H3,(H,23,26)
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Article
PubMed
n/an/a 144n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair