Found 15 hits with Last Name = 'allegrini' and Initial = 'pr' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Caspase-8
(Homo sapiens (Human)) | BDBM50145622
((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
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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
((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/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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
((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/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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
((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/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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
((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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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