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Found 14 hits of Enz. Inhib. data with enzyme = 'Caspase-3' and Substrate = 'Caspase-3 (7) Fluorogenic Substrate'   
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
Caspase-3


(Homo sapiens (human))
BDBM10215
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...)
Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2
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UniChem
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PubMed
4.30E+3 -7.24n/an/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Mus musculus)
BDBM36335
PNG
(Z-DEVD-FMK)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)OCF
Show InChI InChI=1S/C30H41FN4O13/c1-17(2)25(28(41)33-21(14-24(38)46-5)29(42)48-16-31)35-26(39)19(11-12-22(36)44-3)32-27(40)20(13-23(37)45-4)34-30(43)47-15-18-9-7-6-8-10-18/h6-10,17,19-21,25H,11-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,43)(H,35,39)/t19-,20-,21-,25-/m0/s1
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UniChem
Article
PubMed
n/an/a 130n/an/an/an/a7.425



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Caspase-3


(Mus musculus)
BDBM36333
PNG
(LI-0 | Legumain Inhibitor -0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O
Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1
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n/an/a 2.80E+3n/an/an/an/a7.425



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10216
PNG
(BI-7E7 | Burnham Institute Compound 2 | ethyl 2-(2...)
Show SMILES CCOC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C14H13NO4S/c1-2-17-14(16)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,2,7H2,1H3
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n/an/a 4.00E+4n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10218
PNG
(BI-9C3 | Burnham Institute Compound 4 | phenyl 2-(...)
Show SMILES O=C(Oc1ccccc1)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H13NO4S/c20-18(22-12-6-2-1-3-7-12)13-11-24-17(19-13)16-10-21-14-8-4-5-9-15(14)23-16/h1-9,11,16H,10H2
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n/an/a 4.00E+4n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10219
PNG
(BI-9B11 | Burnham Institute Compound 5 | [2-(2,3-d...)
Show SMILES O=C(Sc1cccs1)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H11NO3S3/c18-16(23-14-6-3-7-21-14)10-9-22-15(17-10)13-8-19-11-4-1-2-5-12(11)20-13/h1-7,9,13H,8H2
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PubMed
n/an/a 5.50E+4n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10222
PNG
(4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl...)
Show SMILES Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1
Show InChI InChI=1S/C18H12ClNO4S/c19-11-5-7-12(8-6-11)23-18(21)13-10-25-17(20-13)16-9-22-14-3-1-2-4-15(14)24-16/h1-8,10,16H,9H2
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n/an/a 7.40E+4n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10223
PNG
(BI-9C5 | Burnham Institute Compound 9 | ethyl 2-(2...)
Show SMILES CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1
Show InChI InChI=1S/C15H15NO4S/c1-3-18-15(17)13-9(2)16-14(21-13)12-8-19-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8H2,1-2H3
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n/an/a 8.20E+4n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10225
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-...)
Show SMILES Cc1nc(sc1C(O)=O)C1COc2ccccc2O1
Show InChI InChI=1S/C13H11NO4S/c1-7-11(13(15)16)19-12(14-7)10-6-17-8-4-2-3-5-9(8)18-10/h2-5,10H,6H2,1H3,(H,15,16)
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PubMed
n/an/a 1.28E+5n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10221
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-...)
Show SMILES CN(C)C(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C14H14N2O3S/c1-16(2)14(17)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,7H2,1-2H3
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PubMed
n/an/a 1.29E+5n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10217
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-yl...)
Show SMILES O=C(NCc1ccco1)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H14N2O4S/c20-16(18-8-11-4-3-7-21-11)12-10-24-17(19-12)15-9-22-13-5-1-2-6-14(13)23-15/h1-7,10,15H,8-9H2,(H,18,20)
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n/an/a 1.33E+5n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10224
PNG
(4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiaz...)
Show SMILES O=C(N1CCOCC1)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C16H16N2O4S/c19-16(18-5-7-20-8-6-18)11-10-23-15(17-11)14-9-21-12-3-1-2-4-13(12)22-14/h1-4,10,14H,5-9H2
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n/an/a 1.50E+5n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM10220
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-...)
Show SMILES OC(=O)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C12H9NO4S/c14-12(15)7-6-18-11(13-7)10-5-16-8-3-1-2-4-9(8)17-10/h1-4,6,10H,5H2,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/a7.522



Burnham Institute



Assay Description
Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...


J Med Chem 48: 1649-56 (2005)


Article DOI: 10.1021/jm0493212
BindingDB Entry DOI: 10.7270/Q2GT5KDJ
More data for this
Ligand-Target Pair
Caspase-3


(Mus musculus)
BDBM36332
PNG
(LI-1 | Legumain Inhibitor -1)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1
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n/an/a 8.90E+5n/an/an/an/a7.425



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


ACS Chem Biol 5: 233-43 (2010)


Article DOI: 10.1021/cb900232a
BindingDB Entry DOI: 10.7270/Q2Z31X0W
More data for this
Ligand-Target Pair