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PubMed code 25358116

Compile data set for download or QSAR
Found 84 hits of Enzyme Inhibition Constant Data   
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
Caspase-3


(Homo sapiens (Human))		BDBM10320
PNG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Caspase-7


(Homo sapiens (Human))		BDBM10320
PNG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1
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 47n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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 60n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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 170n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50200302
PNG
((S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031605
PNG
(CHEMBL3359197)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H23BrN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031610
PNG
(CHEMBL3359202)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031602
PNG
(CHEMBL3359194)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23BrN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031608
PNG
(CHEMBL3359200)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
Show InChI InChI=1S/C17H20ClFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50257248
PNG
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Show SMILES CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031604
PNG
(CHEMBL3359196)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H22BrFN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(19)10-13)21(7-3-2-6-20)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50257249
PNG
((S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031610
PNG
(CHEMBL3359202)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031594
PNG
(CHEMBL3359186)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23IN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031592
PNG
(CHEMBL3359184)
Show SMILES CCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H19IN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031603
PNG
(CHEMBL3359195)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Br)c1 |r|
Show InChI InChI=1S/C17H20BrFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031595
PNG
(CHEMBL3359187)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C17H20FIN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031605
PNG
(CHEMBL3359197)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H23BrN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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PubMed
n/an/a 23n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031601
PNG
(CHEMBL3359193)
Show SMILES CCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H21BrN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50257355
PNG
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50257249
PNG
((S)-1-Butyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)
Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H24N2O5S/c1-3-4-9-19-16-8-7-14(11-15(16)17(21)18(19)22)26(23,24)20-10-5-6-13(20)12-25-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3/t13-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031604
PNG
(CHEMBL3359196)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H22BrFN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(19)10-13)21(7-3-2-6-20)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031597
PNG
(CHEMBL3359189)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
Show InChI InChI=1S/C18H23IN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031611
PNG
(CHEMBL3359203)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
Show InChI InChI=1S/C17H20F2N2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50257355
PNG
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031611
PNG
(CHEMBL3359203)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
Show InChI InChI=1S/C17H20F2N2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031593
PNG
(CHEMBL3359185)
Show SMILES CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H21IN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031602
PNG
(CHEMBL3359194)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23BrN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031596
PNG
(CHEMBL3359188)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C18H22FIN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(20)10-13)21(7-3-2-6-19)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031608
PNG
(CHEMBL3359200)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
Show InChI InChI=1S/C17H20ClFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50257248
PNG
((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Show SMILES CCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H22N2O5S/c1-3-8-18-15-7-6-13(10-14(15)16(20)17(18)21)25(22,23)19-9-4-5-12(19)11-24-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031607
PNG
(CHEMBL3359199)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23ClN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031596
PNG
(CHEMBL3359188)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C18H22FIN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(20)10-13)21(7-3-2-6-19)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031603
PNG
(CHEMBL3359195)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Br)c1 |r|
Show InChI InChI=1S/C17H20BrFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031595
PNG
(CHEMBL3359187)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C17H20FIN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031593
PNG
(CHEMBL3359185)
Show SMILES CCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H21IN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1
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n/an/a 124n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031600
PNG
(CHEMBL3359192)
Show SMILES CCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H19BrN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031600
PNG
(CHEMBL3359192)
Show SMILES CCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H19BrN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031601
PNG
(CHEMBL3359193)
Show SMILES CCCN1C(=O)C(=O)c2cc(cc(Br)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C17H21BrN2O5S/c1-3-6-19-15-13(16(21)17(19)22)8-12(9-14(15)18)26(23,24)20-7-4-5-11(20)10-25-2/h8-9,11H,3-7,10H2,1-2H3/t11-/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50257247
PNG
((S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)
Show SMILES CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1
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n/an/a 183n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031592
PNG
(CHEMBL3359184)
Show SMILES CCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H19IN2O5S/c1-3-18-14-12(15(20)16(18)21)7-11(8-13(14)17)25(22,23)19-6-4-5-10(19)9-24-2/h7-8,10H,3-6,9H2,1-2H3/t10-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031607
PNG
(CHEMBL3359199)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23ClN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 263n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031597
PNG
(CHEMBL3359189)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
Show InChI InChI=1S/C18H23IN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 279n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50200302
PNG
((S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
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n/an/a 304n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50257247
PNG
((S)-1-Ethyl-5-[1-(2-methoxymethylpyrrolidinyl)sulf...)
Show SMILES CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C16H20N2O5S/c1-3-17-14-7-6-12(9-13(14)15(19)16(17)20)24(21,22)18-8-4-5-11(18)10-23-2/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m0/s1
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n/an/a 319n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031599
PNG
(CHEMBL3359191)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(Br)c1 |r|
Show InChI InChI=1S/C15H17BrN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1
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n/an/a 353n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031599
PNG
(CHEMBL3359191)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(Br)c1 |r|
Show InChI InChI=1S/C15H17BrN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1
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n/an/a 553n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031594
PNG
(CHEMBL3359186)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23IN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 907n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031591
PNG
(CHEMBL3359183)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(I)c1 |r|
Show InChI InChI=1S/C15H17IN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031608
PNG
(CHEMBL3359200)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
Show InChI InChI=1S/C17H20ClFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 2.59E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031609
PNG
(CHEMBL3359201)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 6.62E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031611
PNG
(CHEMBL3359203)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
Show InChI InChI=1S/C17H20F2N2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 7.43E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031610
PNG
(CHEMBL3359202)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 9.97E+3n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031591
PNG
(CHEMBL3359183)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(C)c2c(I)c1 |r|
Show InChI InChI=1S/C15H17IN2O5S/c1-17-13-11(14(19)15(17)20)6-10(7-12(13)16)24(21,22)18-5-3-4-9(18)8-23-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031611
PNG
(CHEMBL3359203)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(F)c1 |r|
Show InChI InChI=1S/C17H20F2N2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031595
PNG
(CHEMBL3359187)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C17H20FIN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 2.85E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031610
PNG
(CHEMBL3359202)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 7.89E+4n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031609
PNG
(CHEMBL3359201)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031595
PNG
(CHEMBL3359187)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C17H20FIN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(19)9-12)20(6-3-5-18)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031594
PNG
(CHEMBL3359186)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23IN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031598
PNG
(CHEMBL3359190)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Br)c1 |r|
Show InChI InChI=1S/C14H15BrN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031607
PNG
(CHEMBL3359199)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23ClN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031597
PNG
(CHEMBL3359189)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
Show InChI InChI=1S/C18H23IN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031596
PNG
(CHEMBL3359188)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C18H22FIN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(20)10-13)21(7-3-2-6-19)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031609
PNG
(CHEMBL3359201)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031605
PNG
(CHEMBL3359197)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H23BrN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031608
PNG
(CHEMBL3359200)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCF)c2c(Cl)c1 |r|
Show InChI InChI=1S/C17H20ClFN2O5S/c1-26-10-11-4-2-7-21(11)27(24,25)12-8-13-15(14(18)9-12)20(6-3-5-19)17(23)16(13)22/h8-9,11H,2-7,10H2,1H3/t11-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031596
PNG
(CHEMBL3359188)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCF)c2c(I)c1 |r|
Show InChI InChI=1S/C18H22FIN2O5S/c1-27-11-12-5-4-8-22(12)28(25,26)13-9-14-16(15(20)10-13)21(7-3-2-6-19)18(24)17(14)23/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031605
PNG
(CHEMBL3359197)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(Br)c1 |r|
Show InChI InChI=1S/C18H23BrN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031606
PNG
(CHEMBL3359198)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
Show InChI InChI=1S/C14H15ClN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031607
PNG
(CHEMBL3359199)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(Cl)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23ClN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031594
PNG
(CHEMBL3359186)
Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(I)c12)S(=O)(=O)N1CCC[C@H]1COC |r|
Show InChI InChI=1S/C18H23IN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031590
PNG
(CHEMBL3359182)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(I)c1 |r|
Show InChI InChI=1S/C14H15IN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))		BDBM50031590
PNG
(CHEMBL3359182)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(I)c1 |r|
Show InChI InChI=1S/C14H15IN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031606
PNG
(CHEMBL3359198)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
Show InChI InChI=1S/C14H15ClN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50031597
PNG
(CHEMBL3359189)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)N(CCCCO)c2c(I)c1 |r|
Show InChI InChI=1S/C18H23IN2O6S/c1-27-11-12-5-4-7-21(12)28(25,26)13-9-14-16(15(19)10-13)20(6-2-3-8-22)18(24)17(14)23/h9-10,12,22H,2-8,11H2,1H3/t12-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50031606
PNG
(CHEMBL3359198)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
Show InChI InChI=1S/C14H15ClN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031609
PNG
(CHEMBL3359201)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r|
Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031606
PNG
(CHEMBL3359198)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Cl)c1 |r|
Show InChI InChI=1S/C14H15ClN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))		BDBM50031598
PNG
(CHEMBL3359190)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(Br)c1 |r|
Show InChI InChI=1S/C14H15BrN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM10305
PNG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C14H16N2O5S/c1-21-8-9-3-2-6-16(9)22(19,20)10-4-5-12-11(7-10)13(17)14(18)15-12/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17,18)/t9-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product

J Med Chem 57: 9383-95 (2014)


Article DOI: 10.1021/jm500718e
BindingDB Entry DOI: 10.7270/Q2474CGM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%