| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-3/Caspase-7 |
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| Ligand | BDBM50588286 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2186594 (CHEMBL5098676) |
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| EC50 | 76±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 |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2186594 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Caspase-3 |
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| 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 |
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| Type: | Hydrolase; heterotetramer of two heterodimers |
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| Mol. Mass.: | 31607.55 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 277 |
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| Sequence: | MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
|
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| Component 2 |
| Name: | Caspase-7 |
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| Synonyms: | Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | caspase 7, apoptosis-related cysteine peptidase |
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| Type: | Enzyme |
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| Mol. Mass.: | 34273.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P55210 |
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| Residue: | 303 |
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| Sequence: | MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSW
FVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELY
FSQ
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| BDBM50588286 |
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| n/a |
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| Name | BDBM50588286 |
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| Synonyms: | CHEMBL5177440 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H29N5O2 |
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| Mol. Mass. | 407.5087 |
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| SMILES | CNC(=O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1ccc(=O)n(c1)C(C)C |
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| Structure | 
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