Found 5 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-5
(Homo sapiens (Human)) | BDBM50200552
(CHEMBL3898411)Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DePaul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe... |
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50200552
(CHEMBL3898411)Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DePaul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat... |
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0 |
More data for this Ligand-Target Pair | |
Caspase-5
(Homo sapiens (Human)) | BDBM50200552
(CHEMBL3898411)Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
DePaul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe... |
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50200552
(CHEMBL3898411)Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 706 | n/a | n/a | n/a | n/a | n/a | n/a |
DePaul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat... |
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0 |
More data for this Ligand-Target Pair | |
Caspase-4
(Homo sapiens (Human)) | BDBM50200552
(CHEMBL3898411)Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
DePaul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat... |
Bioorg Med Chem Lett 26: 5476-5480 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0 |
More data for this Ligand-Target Pair | |