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)) | BDBM79432
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2...)Show SMILES Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl |w:5.4,(3.08,-1.1,;4.54,-.62,;5.02,.84,;4.12,2.09,;6.56,.84,;7.47,2.09,;6.84,3.49,;7.74,4.74,;7.12,6.15,;7.04,-.62,;8.5,-1.1,;5.79,-1.53,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;5.79,-6.15,;4.46,-5.38,;3.12,-6.15,;4.46,-3.84,;3.12,-3.07,)| Show InChI InChI=1S/C13H9Cl3N2O2/c1-2-6-17-11-10(16)12(19)18(13(11)20)8-5-3-4-7(14)9(8)15/h2-6,19-20H,1H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+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)) | BDBM79432
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2...)Show SMILES Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl |w:5.4,(3.08,-1.1,;4.54,-.62,;5.02,.84,;4.12,2.09,;6.56,.84,;7.47,2.09,;6.84,3.49,;7.74,4.74,;7.12,6.15,;7.04,-.62,;8.5,-1.1,;5.79,-1.53,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;5.79,-6.15,;4.46,-5.38,;3.12,-6.15,;4.46,-3.84,;3.12,-3.07,)| Show InChI InChI=1S/C13H9Cl3N2O2/c1-2-6-17-11-10(16)12(19)18(13(11)20)8-5-3-4-7(14)9(8)15/h2-6,19-20H,1H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+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 | |