Found 2 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-7
(Homo sapiens (Human)) | BDBM79431
(MLS000519824 | SMR000130242 | [4-(4-fluorophenyl)-...)Show SMILES COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.52E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q20V8B80 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM79431
(MLS000519824 | SMR000130242 | [4-(4-fluorophenyl)-...)Show SMILES COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.52E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2011)
BindingDB Entry DOI: 10.7270/Q24M9315 |
More data for this Ligand-Target Pair | |