| Reaction Details |
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 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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| Ligand | BDBM13535 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_774554 (CHEMBL1908771) |
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| Kd | >10000±n/a nM |
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| Citation |  Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol29:1046-51 (2011) [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 |
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| 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 |
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| Type: | Serine/threonine-protein kinase |
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| Mol. Mass.: | 80475.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein. |
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| Residue: | 716 |
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| Sequence: | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLR
KLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVV
AGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYL
HPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTE
KPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFA
ETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCV
LEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLG
AGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSV
AGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSI
QQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKY
QASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKG
AQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
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| BDBM13535 |
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| n/a |
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| Name | BDBM13535 |
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| Synonyms: | 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide | 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide | 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide | CHEMBL124660 | MLN-518 | MLN518 | N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide | cid_3038522 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H42N6O4 |
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| Mol. Mass. | 562.703 |
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| SMILES | COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 |
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| Structure | 
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