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BDBM50162737 4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid hydroxyamide::CHEMBL180333

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO

InChI Key: InChIKey=BLVHWPCGFOTRGU-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50162737   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50162737
PNG
(4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-10-12-21(13-11-20)32(29,30)26-15-7-14-25(18-22(26)23(27)24-28)17-19-8-5-4-6-9-19/h4-6,8-13,22,28H,7,14-18H2,1H3,(H,24,27)
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PC cid
PC sid
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Article
PubMed
n/an/a 61n/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))
BDBM50162737
PNG
(4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-10-12-21(13-11-20)32(29,30)26-15-7-14-25(18-22(26)23(27)24-28)17-19-8-5-4-6-9-19/h4-6,8-13,22,28H,7,14-18H2,1H3,(H,24,27)
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PC sid
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Article
PubMed
n/an/a 212n/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))
BDBM50162737
PNG
(4-Benzyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(Cc2ccccc2)CC1C(=O)NO
Show InChI InChI=1S/C23H27N3O5S/c1-2-3-16-31-20-10-12-21(13-11-20)32(29,30)26-15-7-14-25(18-22(26)23(27)24-28)17-19-8-5-4-6-9-19/h4-6,8-13,22,28H,7,14-18H2,1H3,(H,24,27)
PDB
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KEGG

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/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