Reaction Details |
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Target | Caspase-3/Caspase-7 |
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Ligand | BDBM50588274 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2186594 (CHEMBL5098676) |
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EC50 | 120±n/a nM |
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Citation | Barlaam, B; De Savi, C; Dishington, A; Drew, L; Ferguson, AD; Ferguson, D; Gu, C; Hande, S; Hassall, L; Hawkins, J; Hird, AW; Holmes, J; Lamb, ML; Lister, AS; McGuire, TM; Moore, JE; O'Connell, N; Patel, A; Pike, KG; Sarkar, U; Shao, W; Stead, D; Varnes, JG; Vasbinder, MM; Wang, L; Wu, L; Xue, L; Yang, B; Yao, T Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J Med Chem64:15189-15213 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Caspase-3/Caspase-7 |
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Name: | Caspase-3/Caspase-7 |
Synonyms: | n/a |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2186594 |
Components: | This complex has 2 components. |
Component 1 |
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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Component 2 |
Name: | Caspase-7 |
Synonyms: | Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | caspase 7, apoptosis-related cysteine peptidase |
Type: | Enzyme |
Mol. Mass.: | 34273.91 |
Organism: | Homo sapiens (Human) |
Description: | P55210 |
Residue: | 303 |
Sequence: | MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSW
FVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELY
FSQ
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BDBM50588274 |
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n/a |
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Name | BDBM50588274 |
Synonyms: | CHEMBL5195947 |
Type | Small organic molecule |
Emp. Form. | C23H27FN4O2 |
Mol. Mass. | 410.4845 |
SMILES | COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 |
Structure |
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