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BDBM10348 5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::5-{[(2S)-2-[(pyridin-3-yloxy)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione::IST-1::Pyridine Analogue 20

SMILES: O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1

InChI Key: InChIKey=ZQDAIIUFJKGWON-LBPRGKRZSA-N

Data: 1 KI  6 IC50  1 EC50  1 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 10348   
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))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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Article
PubMed
16.1n/an/an/an/an/an/an/an/a



Wyeth Research



Assay Description
Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...


Biochemistry 46: 9462-71 (2007)


Article DOI: 10.1021/bi7000505
BindingDB Entry DOI: 10.7270/Q2610XM2
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a 215n/an/an/an/an/an/a



Washington University



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Washington University



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a 58.9n/an/an/an/an/an/a



Chugai Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of caspase3


Bioorg Med Chem 20: 5410-5 (2012)


Article DOI: 10.1016/j.bmc.2012.03.041
BindingDB Entry DOI: 10.7270/Q2GF0VTJ
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Washington University



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/an/an/a 1.83E+3n/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by micropl...


Bioorg Med Chem Lett 21: 2192-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.015
BindingDB Entry DOI: 10.7270/Q2TB176G
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a 58.3n/an/an/an/an/an/a



Washington University



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))
BDBM10348
PNG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
Show SMILES O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Washington University



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 10348
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Caspase-3

(Homo sapiens (Human))
BDBM10348
JPEG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)
GoogleScholar
PDB
PC cid
PC sid
-10.31.74-12.07.557.2025



Wyeth Research





Biochemistry 46: 9462-71 (2007)