Reaction Details |
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Target | Liver carboxylesterase |
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Ligand | BDBM50570555 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2112549 (CHEMBL4821399) |
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IC50 | 5.1±n/a nM |
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Citation | Makhaeva, GF; Lushchekina, SV; Boltneva, NP; Serebryakova, OG; Kovaleva, NV; Rudakova, EV; Elkina, NA; Shchegolkov, EV; Burgart, YV; Stupina, TS; Terentiev, AA; Radchenko, EV; Palyulin, VA; Saloutin, VI; Bachurin, SO; Richardson, RJ Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold. Eur J Med Chem218:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Liver carboxylesterase |
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Name: | Liver carboxylesterase |
Synonyms: | Carboxylesterase | EST1_PIG |
Type: | PROTEIN |
Mol. Mass.: | 62009.98 |
Organism: | Sus scrofa |
Description: | ChEMBL_427761 |
Residue: | 566 |
Sequence: | MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPP
LGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYL
NIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFS
TGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNL
FHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLK
MKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLP
TMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLM
GDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLL
KGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKG
EEVAFWNDLLSKEAAKKPPKIKHAEL
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BDBM50570555 |
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n/a |
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Name | BDBM50570555 |
Synonyms: | CHEMBL4868014 |
Type | Small organic molecule |
Emp. Form. | C12H10BrF3N2O3 |
Mol. Mass. | 367.119 |
SMILES | CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F |
Structure |
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