Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50571105 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2113941 (CHEMBL4822791) |
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Ki | 90±n/a nM |
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Citation | Qian, XK; Zhang, J; Song, PF; Zhao, YS; Ma, HY; Jin, Q; Wang, DD; Guan, XQ; Li, SY; Bao, X; Zou, LW Discovery of pyrazolones as novel carboxylesterase 2 inhibitors that potently inhibit the adipogenesis in cells. Bioorg Med Chem40:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cocaine esterase |
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Name: | Cocaine esterase |
Synonyms: | CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE |
Type: | PROTEIN |
Mol. Mass.: | 61801.08 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1494240 |
Residue: | 559 |
Sequence: | MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLG
IPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMS
EDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLG
VLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVS
PISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEI
LAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQ
KEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPA
LQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEE
EQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKK
ALPQKIQELEEPEERHTEL
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BDBM50571105 |
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n/a |
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Name | BDBM50571105 |
Synonyms: | CHEMBL4851375 |
Type | Small organic molecule |
Emp. Form. | C24H28N2O |
Mol. Mass. | 360.4919 |
SMILES | Cc1ccc(CC2C(=O)N(N=C2c2ccc(C)cc2)C2CCCCC2)cc1 |c:10| |
Structure |
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