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SMILES: CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO

InChI Key: InChIKey=YBRVBUDXSMPLGQ-YPFLROGLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50084207   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50084207
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(4-fluoro-phenox...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C21H24FN3O6S/c1-21(2,3)31-24-15-12-19(20(26)23-27)25(13-15)32(28,29)18-10-8-17(9-11-18)30-16-6-4-14(22)5-7-16/h4-11,19,27H,12-13H2,1-3H3,(H,23,26)/b24-15-/t19-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant collagenase-3 (Matrix metalloproteinase-13)


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))
BDBM50084207
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(4-fluoro-phenox...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C21H24FN3O6S/c1-21(2,3)31-24-15-12-19(20(26)23-27)25(13-15)32(28,29)18-10-8-17(9-11-18)30-16-6-4-14(22)5-7-16/h4-11,19,27H,12-13H2,1-3H3,(H,23,26)/b24-15-/t19-/m1/s1
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PubMed
n/an/a 24n/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
Matrilysin


(Homo sapiens (Human))
BDBM50084207
PNG
((R)-4-[(Z)-tert-Butoxyimino]-1-[4-(4-fluoro-phenox...)
Show SMILES CC(C)(C)O\N=C1\C[C@@H](N(C1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C21H24FN3O6S/c1-21(2,3)31-24-15-12-19(20(26)23-27)25(13-15)32(28,29)18-10-8-17(9-11-18)30-16-6-4-14(22)5-7-16/h4-11,19,27H,12-13H2,1-3H3,(H,23,26)/b24-15-/t19-/m1/s1
PDB
MMDB

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PC sid
UniChem

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PubMed
n/an/a 1.03E+3n/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