Reaction Details |
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Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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Ligand | BDBM50520162 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1879125 (CHEMBL4380519) |
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IC50 | 98±n/a nM |
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Citation | Lefranc, J; Schulze, VK; Hillig, RC; Briem, H; Prinz, F; Mengel, A; Heinrich, T; Balint, J; Rengachari, S; Irlbacher, H; Stöckigt, D; Bömer, U; Bader, B; Gradl, SN; Nising, CF; von Nussbaum, F; Mumberg, D; Panne, D; Wengner, AM Discovery of BAY-985, a Highly Selective TBK1/IKK? Inhibitor. J Med Chem63:601-612 (2020) [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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BDBM50520162 |
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n/a |
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Name | BDBM50520162 |
Synonyms: | CHEMBL4453481 | US10894784, Example 38.02 |
Type | Small organic molecule |
Emp. Form. | C25H27F3N8O |
Mol. Mass. | 512.5301 |
SMILES | CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 |
Structure |
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