Reaction Details |
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Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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Ligand | BDBM50329427 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_673926 (CHEMBL1275103) |
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IC50 | >10000±n/a nM |
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Citation | Menichincheri, M; Albanese, C; Alli, C; Ballinari, D; Bargiotti, A; Caldarelli, M; Ciavolella, A; Cirla, A; Colombo, M; Colotta, F; Croci, V; D'Alessio, R; D'Anello, M; Ermoli, A; Fiorentini, F; Forte, B; Galvani, A; Giordano, P; Isacchi, A; Martina, K; Molinari, A; Moll, JK; Montagnoli, A; Orsini, P; Orzi, F; Pesenti, E; Pillan, A; Roletto, F; Scolaro, A; Tatò, M; Tibolla, M; Valsasina, B; Varasi, M; Vianello, P; Volpi, D; Santocanale, C; Vanotti, E Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem53:7296-315 (2010) [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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BDBM50329427 |
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n/a |
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Name | BDBM50329427 |
Synonyms: | 5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide | CHEMBL1270230 | US9670191, U1 |
Type | Small organic molecule |
Emp. Form. | C15H13N5O |
Mol. Mass. | 279.2966 |
SMILES | NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1 |
Structure |
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