Reaction Details |
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Target | Caspase-3 |
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Ligand | BDBM10315 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_582859 (CHEMBL1061695) |
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IC50 | 31±n/a nM |
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Citation | Lakshmi, PJ; Kumar, BV; Nayana, RS; Mohan, MS; Bolligarla, R; Das, SK; Bhanu, MU; Kondapi, AK; Ravikumar, M Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. Bioorg Med Chem17:6040-7 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Caspase-3 |
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Name: | Caspase-3 |
Synonyms: | Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein |
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
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BDBM10315 |
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n/a |
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Name | BDBM10315 |
Synonyms: | (S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}isatin | 5-{[(2S)-2-[(phenylamino)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | Isatin Sulfonamide 26 |
Type | Small organic molecule |
Emp. Form. | C19H19N3O4S |
Mol. Mass. | 385.437 |
SMILES | O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r| |
Structure |
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