Found 3 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)) | BDBM50326101
((S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-...)Show SMILES CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 |r,w:4.3| Show InChI InChI=1S/C21H21NO6S/c1-29(26,27)11-10-14(12-20(23)24)22-21(25)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-11,14,19H,12-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/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 |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase-3 expressed in Saccharomyces cerevisiae CG379 assessed as growth stimulation after 2 days |
Eur J Med Chem 46: 2141-6 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.067 BindingDB Entry DOI: 10.7270/Q2QV3MW0 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50326101
((S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-...)Show SMILES CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 |r,w:4.3| Show InChI InChI=1S/C21H21NO6S/c1-29(26,27)11-10-14(12-20(23)24)22-21(25)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-11,14,19H,12-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/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 | 1.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release |
Eur J Med Chem 45: 3858-63 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50326101
((S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-...)Show SMILES CS(=O)(=O)C=C[C@H](CC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12 |r,w:4.3| Show InChI InChI=1S/C21H21NO6S/c1-29(26,27)11-10-14(12-20(23)24)22-21(25)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-11,14,19H,12-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/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 | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin release |
Eur J Med Chem 45: 3858-63 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 |
More data for this Ligand-Target Pair | |