Ki Summary

Reaction Details

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Target

Cytochrome P450 3A4

Ligand

BDBM50380664

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_813216 (CHEMBL2020948)

IC50

2000±n/a nM

Citation

Mirguet, O; Lamotte, Y; Donche, F; Toum, J; Gellibert, F; Bouillot, A; Gosmini, R; Nguyen, VL; Delannée, D; Seal, J; Blandel, F; Boullay, AB; Boursier, E; Martin, S; Brusq, JM; Krysa, G; Riou, A; Tellier, R; Costaz, A; Huet, P; Dudit, Y; Trottet, L; Kirilovsky, J; Nicodeme, E From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151. Bioorg Med Chem Lett22:2963-7 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 3A4

Name:

Cytochrome P450 3A4

Synonyms:

Type:

Enzyme

Mol. Mass.:

57349.57

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

503

Sequence:

MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA

BDBM50380664

n/a

Name

BDBM50380664

Synonyms:

CHEMBL2017287

Type

Small organic molecule

Emp. Form.

C24H22N4O3

Mol. Mass.

414.4565

SMILES

COc1cc2c3n(C(C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-7.28,-41.44,;-7.28,-42.98,;-5.94,-43.75,;-4.62,-42.98,;-3.28,-43.74,;-1.95,-42.97,;-1.65,-41.47,;-2.42,-40.14,;-3.96,-40.14,;-1.65,-38.8,;-.11,-38.81,;.66,-37.48,;-.11,-36.14,;-1.66,-36.14,;-2.42,-37.48,;-.13,-41.29,;.63,-39.95,;.51,-42.69,;-.62,-43.72,;-.61,-45.28,;-1.94,-46.05,;-3.28,-45.29,;-4.61,-46.07,;-5.95,-45.29,;-7.28,-46.06,;-7.32,-47.61,;-6.09,-48.54,;-8.79,-48.05,;-9.67,-46.79,;-8.74,-45.56,;-9.19,-44.09,)|

Structure