Ki Summary

Reaction Details

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Target

Cytochrome P450 3A4

Ligand

BDBM50336317

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_730102 (CHEMBL1695868)

IC50

>25000±n/a nM

Citation

Jin, M; Gokhale, PC; Cooke, A; Foreman, K; Buck, E; May, EW; Feng, L; Bittner, MA; Kadalbajoo, M; Landfair, D; Siu, KW; Stolz, KM; Werner, DS; Laufer, RS; Li, AH; Dong, H; Steinig, AG; Kleinberg, A; Yao, Y; Pachter, JA; Wild, R; Mulvihill, MJ Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett1:510-515 (2010) [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

BDBM50336317

n/a

Name

BDBM50336317

Synonyms:

CHEMBL1667935 | cis-3-[4-Amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutanol | cis-3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methyl-cyclobutanol

Type

Small organic molecule

Emp. Form.

C25H21FN6O

Mol. Mass.

440.4722

SMILES

C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)|

Structure