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SMILES: Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C

InChI Key: InChIKey=SHTFVFWWLRULMZ-JQWIXIFHSA-N

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 4 hits for monomerid = 50152637   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C |t:8|
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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Article
PubMed
8.80E+4n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C |t:8|
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C |t:8|
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50152637
PNG
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazole-4-th...)
Show SMILES Cc1ccc(cc1)C1=N[C@@H](S)[C@@H](O1)C=C |t:8|
Show InChI InChI=1S/C12H13NOS/c1-3-10-12(15)13-11(14-10)9-6-4-8(2)5-7-9/h3-7,10,12,15H,1H2,2H3/t10-,12-/m0/s1
PDB
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Article
PubMed
>3.00E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair