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)) | BDBM50326097
((S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylam...)Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:31.34| Show InChI InChI=1S/C26H30N2O7S/c1-16(2)24(25(31)27-17(14-23(29)30)12-13-36(3,33)34)28-26(32)35-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-13,16-17,22,24H,14-15H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-,24+/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 | 2.88E+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 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-3
(Homo sapiens (Human)) | BDBM50326097
((S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylam...)Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:31.34| Show InChI InChI=1S/C26H30N2O7S/c1-16(2)24(25(31)27-17(14-23(29)30)12-13-36(3,33)34)28-26(32)35-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-13,16-17,22,24H,14-15H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-,24+/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 | 3.40E+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-7
(Homo sapiens (Human)) | BDBM50326097
((S)-3-((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylam...)Show SMILES CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:31.34| Show InChI InChI=1S/C26H30N2O7S/c1-16(2)24(25(31)27-17(14-23(29)30)12-13-36(3,33)34)28-26(32)35-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-13,16-17,22,24H,14-15H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-,24+/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 | |