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BDBM50162740 4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lambda*6*-[1,4]thiazepane-5-carboxylic acid hydroxyamide::CHEMBL181328

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO

InChI Key: InChIKey=JKWHUKMFJPDCMY-UHFFFAOYSA-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 = 50162740   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50162740
PNG
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO
Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against TNF-alpha converting enzyme at 1 uM


Bioorg Med Chem Lett 15: 1641-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.053
BindingDB Entry DOI: 10.7270/Q2930SPX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50162740
PNG
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO
Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloproteinase-1 at 1 uM


Bioorg Med Chem Lett 15: 1641-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.053
BindingDB Entry DOI: 10.7270/Q2930SPX
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50162740
PNG
(4-(4-But-2-ynyloxy-benzenesulfonyl)-1,1-dioxo-1lam...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCS(=O)(=O)CCC1C(=O)NO
Show InChI InChI=1S/C16H20N2O7S2/c1-2-3-10-25-13-4-6-14(7-5-13)27(23,24)18-9-12-26(21,22)11-8-15(18)16(19)17-20/h4-7,15,20H,8-12H2,1H3,(H,17,19)
PDB
MMDB

NCI pathway
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM


Bioorg Med Chem Lett 15: 1641-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.053
BindingDB Entry DOI: 10.7270/Q2930SPX
More data for this
Ligand-Target Pair