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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'crascì' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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PubMed
n/an/a 36n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85285
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-16(22)19-17(23-14)18-15-12-3-1-2-4-13(12)24-20-15/h1-9,21H,(H,18,19,20,22)/b14-9+
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n/an/a 158n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM85285
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H11N3O2S2/c21-11-7-5-10(6-8-11)9-14-16(22)19-17(23-14)18-15-12-3-1-2-4-13(12)24-20-15/h1-9,21H,(H,18,19,20,22)/b14-9+
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n/an/a 1.04E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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n/an/a 1.67E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85282
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9+
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n/an/a 2.00E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85286
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-16(22)20-17(23-14)19-15-12-3-1-2-4-13(12)24-21-15/h1-9H,(H,19,20,21,22)/b14-9+
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PubMed
n/an/a 2.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85284
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES O=C1N\C(S\C1=C\c1ccccc1)=N\c1nsc2ccccc12
Show InChI InChI=1S/C17H11N3OS2/c21-16-14(10-11-6-2-1-3-7-11)22-17(19-16)18-15-12-8-4-5-9-13(12)23-20-15/h1-10H,(H,18,19,20,21)/b14-10+
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Article
PubMed
n/an/a 3.20E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM85280
PNG
(2-(benzo[d]-thiazol-2-ylimino)-thiazolidin-4-one, ...)
Show SMILES Oc1csc(Nc2nc3ccccc3s2)n1
Show InChI InChI=1S/C10H7N3OS2/c14-8-5-15-9(12-8)13-10-11-6-3-1-2-4-7(6)16-10/h1-5,14H,(H,11,12,13)
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n/an/a 3.67E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM85281
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES O=C1N\C(S\C1=C\c1ccccc1)=N/c1nc2ccccc2s1
Show InChI InChI=1S/C17H11N3OS2/c21-15-14(10-11-6-2-1-3-7-11)23-17(19-15)20-16-18-12-8-4-5-9-13(12)22-16/h1-10H,(H,18,19,20,21)/b14-10+
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PubMed
n/an/a 4.40E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85281
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES O=C1N\C(S\C1=C\c1ccccc1)=N/c1nc2ccccc2s1
Show InChI InChI=1S/C17H11N3OS2/c21-15-14(10-11-6-2-1-3-7-11)23-17(19-15)20-16-18-12-8-4-5-9-13(12)22-16/h1-10H,(H,18,19,20,21)/b14-10+
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PubMed
n/an/a 4.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85287
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES O=C1N\C(S\C1=C\c1ccc(cc1)N(=O)=O)=N\c1nsc2ccccc12
Show InChI InChI=1S/C17H10N4O3S2/c22-16-14(9-10-5-7-11(8-6-10)21(23)24)25-17(19-16)18-15-12-3-1-2-4-13(12)26-20-15/h1-9H,(H,18,19,20,22)/b14-9+
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n/an/a 5.59E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM85283
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES O=C1N\C(S\C1=C\c1ccc(cc1)N(=O)=O)=N/c1nc2ccccc2s1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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n/an/a 6.00E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM85286
PNG
(2-(benzo[d]isothiazol-3-ylimino)-5-benzylidenethia...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-16(22)20-17(23-14)19-15-12-3-1-2-4-13(12)24-21-15/h1-9H,(H,19,20,21,22)/b14-9+
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n/an/a 6.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM85282
PNG
(2-(benzo[d]-thiazol-2-ylimino)-5-benzylidenethiazo...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10ClN3OS2/c18-11-7-5-10(6-8-11)9-14-15(22)20-17(24-14)21-16-19-12-3-1-2-4-13(12)23-16/h1-9H,(H,19,20,21,22)/b14-9+
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n/an/a 6.50E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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n/an/a 9.80E+4n/an/an/an/a7.025



University of Catania



Assay Description
The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide subst...


Bioorg Chem 39: 48-52 (2011)


Article DOI: 10.1016/j.bioorg.2010.11.002
BindingDB Entry DOI: 10.7270/Q28914DM
More data for this
Ligand-Target Pair