Found 10 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-1
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-1 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-4
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-4 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-5
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-5 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-9
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-9 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-10
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-10 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-8 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-3 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-7 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-2
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-2 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50426565
(CHEMBL2324340)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51| Show InChI InChI=1S/C36H46N6O10S/c1-4-22(2)32(35(48)39-25(19-31(44)45)16-17-53(3,50)51)42-33(46)28(14-15-30(37)43)40-34(47)29(18-24-20-38-27-13-9-8-12-26(24)27)41-36(49)52-21-23-10-6-5-7-11-23/h5-13,16-17,20,22,25,28-29,32,38H,4,14-15,18-19,21H2,1-3H3,(H2,37,43)(H,39,48)(H,40,47)(H,41,49)(H,42,46)(H,44,45)/t22-,25+,28-,29-,32-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of caspase-6 (unknown origin) |
ACS Med Chem Lett 4: 163-4 (2013)
Article DOI: 10.1021/ml400021b BindingDB Entry DOI: 10.7270/Q2736S86 |
More data for this Ligand-Target Pair | |