Reaction Details |
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Target | Caspase-2 |
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Ligand | BDBM50355098 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_773166 (CHEMBL1838642) |
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IC50 | 150±n/a nM |
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Citation | Maillard, MC; Brookfield, FA; Courtney, SM; Eustache, FM; Gemkow, MJ; Handel, RK; Johnson, LC; Johnson, PD; Kerry, MA; Krieger, F; Meniconi, M; Muñoz-Sanjuán, I; Palfrey, JJ; Park, H; Schaertl, S; Taylor, MG; Weddell, D; Dominguez, C Exploiting differences in caspase-2 and -3 S2 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg Med Chem19:5833-51 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Caspase-2 |
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Name: | Caspase-2 |
Synonyms: | CASP-2 | CASP2 | CASP2_HUMAN | Caspase-2 subunit p12 | Caspase-2 subunit p13 | Caspase-2 subunit p18 | ICH-1 protease | ICH-1L/1S | ICH1 | NEDD-2 | NEDD2 | Neural precursor cell expressed developmentally down-regulated protein 2 |
Type: | Enzyme |
Mol. Mass.: | 50688.29 |
Organism: | Homo sapiens (Human) |
Description: | P42575 |
Residue: | 452 |
Sequence: | MAAPSAGSWSTFQHKELMAADRGRRILGVCGMHPHHQETLKKNRVVLAKQLLLSELLEHL
LEKDIITLEMRELIQAKVGSFSQNVELLNLLPKRGPQAFDAFCEALRETKQGHLEDMLLT
TLSGLQHVLPPLSCDYDLSLPFPVCESCPLYKKLRLSTDTVEHSLDNKDGPVCLQVKPCT
PEFYQTHFQLAYRLQSRPRGLALVLSNVHFTGEKELEFRSGGDVDHSTLVTLFKLLGYDV
HVLCDQTAQEMQEKLQNFAQLPAHRVTDSCIVALLSHGVEGAIYGVDGKLLQLQEVFQLF
DNANCPSLQNKPKMFFIQACRGDETDRGVDQQDGKNHAGSPGCEESDAGKEKLPKMRLPT
RSDMICGYACLKGTAAMRNTKRGSWYIEALAQVFSERACDMHVADMLVKVNALIKDREGY
APGTEFHRCKEMSEYCSTLCRHLYLFPGHPPT
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BDBM50355098 |
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n/a |
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Name | BDBM50355098 |
Synonyms: | CHEMBL1835321 |
Type | Small organic molecule |
Emp. Form. | C29H39N5O10 |
Mol. Mass. | 617.6475 |
SMILES | CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| |
Structure |
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