| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2E1 |
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| Ligand | BDBM50237622 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_475137 (CHEMBL932659) |
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| IC50 | >50000±n/a nM |
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| Citation |  Caldwell, JJ; Davies, TG; Donald, A; McHardy, T; Rowlands, MG; Aherne, GW; Hunter, LK; Taylor, K; Ruddle, R; Raynaud, FI; Verdonk, M; Workman, P; Garrett, MD; Collins, I Identification of 4-(4-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as selective inhibitors of protein kinase B through fragment elaboration. J Med Chem51:2147-57 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2E1 |
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| Name: | Cytochrome P450 2E1 |
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| Synonyms: | CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 56860.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05181 |
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| Residue: | 493 |
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| Sequence: | MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRL
AQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGP
TWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVI
ADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVA
EVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAG
TETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRF
ITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK
FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGC
IPPRYKLCVIPRS
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| BDBM50237622 |
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| n/a |
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| Name | BDBM50237622 |
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| Synonyms: | 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin- | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine | CCT128930 | CHEMBL263664 | US8796293, 17 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H20ClN5 |
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| Mol. Mass. | 341.838 |
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| SMILES | NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 |
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| Structure | 
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