| Reaction Details |
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 | Report a problem with these data |
| Target | NF-kappa-B essential modulator |
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| Ligand | BDBM50587700 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2184657 (CHEMBL5096739) |
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| Kd | 190±n/a nM |
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| Citation |  Hiesinger, K; Dar'in, D; Proschak, E; Krasavin, M Spirocyclic Scaffolds in Medicinal Chemistry. J Med Chem64:150-183 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| NF-kappa-B essential modulator |
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| Name: | NF-kappa-B essential modulator |
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| Synonyms: | FIP3 | IKBKG | Inhibitor of NF-kappa-B kinase (IKK) | NEMO | NEMO_HUMAN | NF-kappa-B essential modulator |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48190.12 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_84013 |
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| Residue: | 419 |
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| Sequence: | MNRHLWKSQLCEMVQPSGGPAADQDVLGEESPLGKPAMLHLPSEQGAPETLQRCLEENQE
LRDAIRQSNQILRERCEELLHFQASQREEKEFLMCKFQEARKLVERLGLEKLDLKRQKEQ
ALREVEHLKRCQQQMAEDKASVKAQVTSLLGELQESQSRLEAATKECQALEGRARAASEQ
ARQLESEREALQQQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQE
YDNHIKSSVVGSERKRGMQLEDLKQQLQQAEEALVAKQEVIDKLKEEAEQHKIVMETVPV
LKAQADIYKADFQAERQAREKLAEKKELLQEQLEQLQREYSKLKASCQESARIEDMRKRH
VEVSQAPLPPAPAYLSSPLALPSQRRSPPEEPPDFCCPKCQYQAPDMDTLQIHVMECIE
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| BDBM50587700 |
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| n/a |
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| Name | BDBM50587700 |
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| Synonyms: | CHEMBL5171411 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H30N2O4 |
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| Mol. Mass. | 506.5916 |
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| SMILES | [H][C@@]12C[C@@]3([C@H](c4ccc(C)cc4)[C@@]1([H])C=C(C=O)[C@H]([C@@H]2[N+]([O-])=O)c1ccc(C)cc1)C(=O)N(C)c1ccccc31 |r,t:16| |
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| Structure | 
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