Ki Summary

Reaction Details

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Target

Caspase-3

Ligand

BDBM93582

Substrate/Competitor

n/a

IC50

>100000±0 nM

Citation

PubChem, PC Dose-response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 in a Caspase-3 Fluorescence assay PubChem Bioassay(2012)[AID]

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Caspase-3

Name:

Caspase-3

Synonyms:

Type:

Hydrolase; heterotetramer of two heterodimers

Mol. Mass.:

31607.55

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

277

Sequence:

MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH

BDBM93582

n/a

Name

BDBM93582

Synonyms:

5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one | 5-Morpholin-4-yl-2-(4-nitro-phenyl)-2,4-dihydro-pyrazol-3-one | 5-morpholin-4-yl-2-(4-nitrophenyl)-4H-pyrazol-3-one | 5-morpholino-2-(4-nitrophenyl)-2-pyrazolin-3-one | MLS001047248 | SMR000427083 | cid_574330

Type

Small organic molecule

Emp. Form.

C13H14N4O4

Mol. Mass.

290.2747

SMILES

Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)|

Structure