| Reaction Details |
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 | Report a problem with these data |
| Target | Melatonin receptor type 1B |
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| Ligand | BDBM50323444 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_644101 (CHEMBL1212000) |
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| EC50 | 465±n/a nM |
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| Citation |  Guo, L; Ye, Z; Liu, J; He, S; Bakshi, RK; Sebhat, IK; Dobbelaar, PH; Hong, Q; Jian, T; Dellureficio, JP; Tsou, NN; Ball, RG; Weinberg, DH; MacNeil, T; Tang, R; Tamvakopoulos, C; Peng, Q; Chen, HY; Chen, AS; Martin, WJ; MacIntyre, DE; Strack, AM; Fong, TM; Wyvratt, MJ; Nargund, RP Discovery of potent, selective, and orally bioavailable 3H-spiro[isobenzofuran-1,4'-piperidine] based melanocortin subtype-4 receptor agonists. Bioorg Med Chem Lett20:4895-900 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Melatonin receptor type 1B |
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| Name: | Melatonin receptor type 1B |
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| Synonyms: | MTNR1B | MTR1B_HUMAN | Mel-1B-R | Mel1b melatonin receptor | Melatonin 1B | Melatonin receptor | Melatonin receptor type 1B | Melatonin receptor type 2 (MT2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 40203.54 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49286 |
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| Residue: | 362 |
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| Sequence: | MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLL
VILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVM
GLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGS
LEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRL
CLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFN
SCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQAD
AL
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| BDBM50323444 |
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| n/a |
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| Name | BDBM50323444 |
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| Synonyms: | 2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(pentan-3-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile | CHEMBL1209791 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H40ClF2N3O2 |
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| Mol. Mass. | 584.139 |
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| SMILES | CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r| |
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| Structure | 
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