Found 10 hits for monomerid = 50426562 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Caspase-7
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | >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-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)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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-5
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.95E+4 | 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-3
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 6.90E+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-10
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | 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-9
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 800 | 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-8
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 600 | 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-6
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 600 | 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 | |
Caspase-4
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 370 | 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-1
(Homo sapiens (Human)) | BDBM50426562
(CHEMBL2324339)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42| Show InChI InChI=1S/C30H45N5O10S/c1-6-19(4)26(29(41)32-21(16-24(37)38)14-15-46(5,43)44)34-27(39)22(12-13-23(31)36)33-28(40)25(18(2)3)35-30(42)45-17-20-10-8-7-9-11-20/h7-11,14-15,18-19,21-22,25-26H,6,12-13,16-17H2,1-5H3,(H2,31,36)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,37,38)/t19-,21+,22-,25-,26-/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 | 2.70E+3 | 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 | |