Found 4 hits in this display 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-3
(Homo sapiens (Human)) | BDBM10545
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)Show SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 467 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10545
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)Show SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this
Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM10545
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)Show SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM10545
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-(2-hydroxy-2-met...)Show SMILES CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H30N2O6S/c1-13(2)18(23-20(28)21(3,4)29)19(27)22-15(10-17(25)26)16(24)12-30-11-14-8-6-5-7-9-14/h5-9,13,15,18,29H,10-12H2,1-4H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this
Ligand-Target Pair | |