Reaction Details |
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Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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Ligand | BDBM50208911 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1633279 (CHEMBL3876071) |
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IC50 | 10000±n/a nM |
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Citation | Katz, JD; Haidle, A; Childers, KK; Zabierek, AA; Jewell, JP; Hou, Y; Altman, MD; Szewczak, A; Chen, D; Harsch, A; Hayashi, M; Warren, L; Hutton, M; Nuthall, H; Su, HP; Munshi, S; Stanton, MG; Davies, IW; Munoz, B; Northrup, A Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg Med Chem Lett27:114-120 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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Name: | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
Synonyms: | I kappa-B kinase epsilon | I-kappa-B Kinase 3 (IKK-epsilon) | I-kappa-B kinase epsilon (IKK-E) | I-kappa-B kinase epsilon (IKKE) | IKBKE | IKK-E | IKK-epsilon | IKK-i | IKKE | IKKE_HUMAN | IKKI | Inducible I kappa-B kinase | KIAA0151 | von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
Type: | Serine/threonine-protein kinase |
Mol. Mass.: | 80475.98 |
Organism: | Homo sapiens (Human) |
Description: | Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein. |
Residue: | 716 |
Sequence: | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLR
KLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVV
AGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYL
HPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTE
KPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFA
ETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCV
LEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLG
AGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSV
AGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSI
QQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKY
QASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKG
AQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
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BDBM50208911 |
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n/a |
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Name | BDBM50208911 |
Synonyms: | CHEMBL3884319 |
Type | Small organic molecule |
Emp. Form. | C23H22N4O2 |
Mol. Mass. | 386.4464 |
SMILES | CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r| |
Structure |
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