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Found 20 hits of Enz. Inhib. data with enzyme = 'Caspase-7' and Substrate = 'Caspase-7 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-7


(Homo sapiens (human))
BDBM10246
PNG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1
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PubMed
n/an/a 2.95n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29581
PNG
(isatin sulfonamide, 16a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1
Show InChI InChI=1S/C18H16N2O4S/c21-17-15-11-14(25(23,24)19-9-4-10-19)7-8-16(15)20(18(17)22)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2
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n/an/a 132n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29582
PNG
(isatin Michael acceptor (IMA) analogue, 18a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCC1
Show InChI InChI=1S/C21H16N4O3S/c22-12-16(13-23)20-18-11-17(29(27,28)24-9-4-10-24)7-8-19(18)25(21(20)26)14-15-5-2-1-3-6-15/h1-3,5-8,11H,4,9-10,14H2
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n/an/a 248n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29584
PNG
(isatin Michael acceptor (IMA) analogue, 18c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC2)cc1Cl
Show InChI InChI=1S/C21H14Cl2N4O3S/c22-17-4-2-13(8-18(17)23)12-27-19-5-3-15(31(29,30)26-6-1-7-26)9-16(19)20(21(27)28)14(10-24)11-25/h2-5,8-9H,1,6-7,12H2
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n/an/a 340n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29586
PNG
(isatin Michael acceptor (IMA) analogue, 19b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C23H20N4O4S/c1-31-18-6-4-16(5-7-18)15-27-21-9-8-19(32(29,30)26-10-2-3-11-26)12-20(21)22(23(27)28)17(13-24)14-25/h4-9,12H,2-3,10-11,15H2,1H3
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n/an/a 443n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29587
PNG
(isatin Michael acceptor (IMA) analogue, 19c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCC2)cc1Cl
Show InChI InChI=1S/C22H16Cl2N4O3S/c23-18-5-3-14(9-19(18)24)13-28-20-6-4-16(32(30,31)27-7-1-2-8-27)10-17(20)21(22(28)29)15(11-25)12-26/h3-6,9-10H,1-2,7-8,13H2
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n/an/a 471n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29583
PNG
(isatin Michael acceptor (IMA) analogue, 18b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCC2)cc1
Show InChI InChI=1S/C22H18N4O4S/c1-30-17-5-3-15(4-6-17)14-26-20-8-7-18(31(28,29)25-9-2-10-25)11-19(20)21(22(26)27)16(12-23)13-24/h3-8,11H,2,9-10,14H2,1H3
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n/an/a 471n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29585
PNG
(isatin Michael acceptor (IMA) analogue, 19a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C22H18N4O3S/c23-13-17(14-24)21-19-12-18(30(28,29)25-10-4-5-11-25)8-9-20(19)26(22(21)27)15-16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,15H2
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n/an/a 587n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29572
PNG
(isatin Michael acceptor (IMA) analogue, 11a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C23H20N4O3S/c24-14-18(15-25)22-20-13-19(31(29,30)26-11-5-2-6-12-26)9-10-21(20)27(23(22)28)16-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,16H2
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n/an/a 878n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29573
PNG
(isatin Michael acceptor (IMA) analogue, 11b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C24H22N4O4S/c1-32-19-7-5-17(6-8-19)16-28-22-10-9-20(33(30,31)27-11-3-2-4-12-27)13-21(22)23(24(28)29)18(14-25)15-26/h5-10,13H,2-4,11-12,16H2,1H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29571
PNG
(isatin sulfonamide, 10a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1
Show InChI InChI=1S/C19H18N2O4S2/c22-18-16-12-15(27(24,25)20-8-10-26-11-9-20)6-7-17(16)21(19(18)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29578
PNG
(isatin Michael acceptor (IMA) analogue, 13a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCSCC1
Show InChI InChI=1S/C22H18N4O3S2/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29579
PNG
(isatin Michael acceptor (IMA) analogue, 13b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCSCC2)cc1
Show InChI InChI=1S/C23H20N4O4S2/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3
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n/an/a 1.89E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29570
PNG
(isatin sulfonamide, 9c)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C19H16Cl2N2O5S/c20-15-3-1-12(9-16(15)21)11-23-17-4-2-13(10-14(17)18(24)19(23)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2
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n/an/a 2.23E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29574
PNG
(isatin Michael acceptor (IMA) analogue, 11c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C23H18Cl2N4O3S/c24-19-6-4-15(10-20(19)25)14-29-21-7-5-17(33(31,32)28-8-2-1-3-9-28)11-18(21)22(23(29)30)16(12-26)13-27/h4-7,10-11H,1-3,8-9,14H2
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n/an/a 3.42E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29576
PNG
(isatin Michael acceptor (IMA) analogue, 12b)
Show SMILES COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-31-18-4-2-16(3-5-18)15-27-21-7-6-19(33(29,30)26-8-10-32-11-9-26)12-20(21)22(23(27)28)17(13-24)14-25/h2-7,12H,8-11,15H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29575
PNG
(isatin Michael acceptor (IMA) analogue, 12a)
Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=C(C#N)C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H18N4O4S/c23-13-17(14-24)21-19-12-18(31(28,29)25-8-10-30-11-9-25)6-7-20(19)26(22(21)27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,15H2
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n/an/a 4.47E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29580
PNG
(isatin Michael acceptor (IMA) analogue, 13c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCSCC2)cc1Cl
Show InChI InChI=1S/C22H16Cl2N4O3S2/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29577
PNG
(isatin Michael acceptor (IMA) analogue, 12c)
Show SMILES Clc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C22H16Cl2N4O4S/c23-18-3-1-14(9-19(18)24)13-28-20-4-2-16(33(30,31)27-5-7-32-8-6-27)10-17(20)21(22(28)29)15(11-25)12-26/h1-4,9-10H,5-8,13H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (human))
BDBM29569
PNG
(isatin sulfonamide, 6)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C12H12N2O5S/c15-11-9-7-8(1-2-10(9)13-12(11)16)20(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6H2,(H,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair