| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase |
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| Ligand | BDBM50267997 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1704270 (CHEMBL4055503) |
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| IC50 | 1440±n/a nM |
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| Citation |  Shchegol'kov, EV; Makhaeva, GF; Boltneva, NP; Lushchekina, SV; Serebryakova, OG; Rudakova, EV; Kovaleva, NV; Burgart, YV; Saloutin, VI; Chupakhin, ON; Bachurin, SO; Richardson, RJ Synthesis, molecular docking, and biological activity of polyfluoroalkyl dihydroazolo[5,1-c][1,2,4]triazines as selective carboxylesterase inhibitors. Bioorg Med Chem25:3997-4007 (2017) [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 |
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| Synonyms: | Carboxylesterase | EST1_PIG |
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| Type: | PROTEIN |
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| Mol. Mass.: | 62009.98 |
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| Organism: | Sus scrofa |
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| Description: | ChEMBL_427761 |
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| Residue: | 566 |
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| Sequence: | MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPP
LGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYL
NIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFS
TGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNL
FHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLK
MKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLP
TMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLM
GDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLL
KGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKG
EEVAFWNDLLSKEAAKKPPKIKHAEL
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| BDBM50267997 |
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| n/a |
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| Name | BDBM50267997 |
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| Synonyms: | CHEMBL4061056 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H11F9N4O3 |
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| Mol. Mass. | 442.2371 |
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| SMILES | CCOC(=O)C1=NNc2cc(C)nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5| |
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| Structure | 
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