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SMILES: CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO

InChI Key: InChIKey=BUOKQWSUTKFXOW-NLKUQUHMSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084215   
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
Matrilysin


(Homo sapiens (Human))
BDBM50084215
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(pyridin-4-yloxy...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO
Show InChI InChI=1S/C20H24N4O6S/c1-20(2,3)30-23-14-12-18(19(25)22-26)24(13-14)31(27,28)17-6-4-15(5-7-17)29-16-8-10-21-11-9-16/h4-11,18,26H,12-13H2,1-3H3,(H,22,25)/b23-14-/t18-/m1/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 785n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of matrilysin (Matrix metalloproteinase-7, MMP-7)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084215
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(pyridin-4-yloxy...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO
Show InChI InChI=1S/C20H24N4O6S/c1-20(2,3)30-23-14-12-18(19(25)22-26)24(13-14)31(27,28)17-6-4-15(5-7-17)29-16-8-10-21-11-9-16/h4-11,18,26H,12-13H2,1-3H3,(H,22,25)/b23-14-/t18-/m1/s1
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PubMed
n/an/a 5n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition activity of human recombinant stromelysin (Matrix metalloproteinase-3)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084215
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(pyridin-4-yloxy...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccncc2)cc1)C(=O)NO
Show InChI InChI=1S/C20H24N4O6S/c1-20(2,3)30-23-14-12-18(19(25)22-26)24(13-14)31(27,28)17-6-4-15(5-7-17)29-16-8-10-21-11-9-16/h4-11,18,26H,12-13H2,1-3H3,(H,22,25)/b23-14-/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 26n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-1 (Matrix metalloproteinase-1, MMP-1)


J Med Chem 42: 5426-36 (2000)


BindingDB Entry DOI: 10.7270/Q2Q23ZGT
More data for this
Ligand-Target Pair