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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-7' and Ligand = 'BDBM51685'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Caspase-7


(Homo sapiens (Human))
BDBM51685
PNG
(4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methyli...)
Show SMILES COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11|
Show InChI InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.53E+4n/an/an/an/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