BindingDB logo
myBDB logout

PubMed code 15109679

Compile data set for download or QSAR
Found 15 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-8


(Homo sapiens (human))
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-8


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50145661
PNG
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)
Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-3


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-3


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-1


(Mus musculus)
BDBM50145661
PNG
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)
Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards mouse Caspase-1


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-1


(Mus musculus)
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards mouse Caspase-1


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (human))
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-6


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50145670
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-3


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50145622
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-ac...)
Show SMILES CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H27N3O5/c1-14(2)10-19(22(30)24-16(13-26)11-21(28)29)25-20(27)12-23-18-9-5-7-15-6-3-4-8-17(15)18/h3-9,13-14,16,19,23H,10-12H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)/t16-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-9


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50145661
PNG
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)
Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 179n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-8


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50145661
PNG
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)
Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-9


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-1


(Mus musculus)
BDBM50145670
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards mouse Caspase-1


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (human))
BDBM50145670
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-8


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (human))
BDBM50145670
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-6


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (human))
BDBM50145661
PNG
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)
Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-6


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (human))
BDBM50145670
PNG
((S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-yloxy)-acet...)
Show SMILES CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C22H26N2O6/c1-14(2)10-18(22(29)23-16(12-25)11-21(27)28)24-20(26)13-30-19-9-5-7-15-6-3-4-8-17(15)19/h3-9,12,14,16,18H,10-11,13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



Idun Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Caspase-9


Bioorg Med Chem Lett 14: 2685-91 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.106
BindingDB Entry DOI: 10.7270/Q2BP027K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%