Ki Summary

Reaction Details

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Target

Cytochrome P450 4B1

Ligand

BDBM330295

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2078100 (CHEMBL4733891)

IC50

>30000±n/a nM

Citation

Xiang, HY; Wang, X; Chen, YH; Zhang, X; Tan, C; Wang, Y; Su, Y; Gao, ZW; Chen, XY; Xiong, B; Gao, ZB; Chen, Y; Ding, J; Meng, LH; Yang, CH Identification of methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate (CYH33) as an orally bioavailable, highly potent, PI3K alpha inhibitor for the treatment of advanced solid tumors. Eur J Med Chem209:0 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 4B1

Name:

Cytochrome P450 4B1

Synonyms:

Type:

PROTEIN

Mol. Mass.:

59005.59

Organism:

Homo sapiens

Description:

ChEMBL_119703

Residue:

511

Sequence:

MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALE
IQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQ
WIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDI
FCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLT
PHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKL
SDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDL
GKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWP
DPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDP
SRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK

BDBM330295

n/a

Name

BDBM330295

Synonyms:

Methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate | US9724352, I-33

Type

Small organic molecule

Emp. Form.

C24H29F3N8O5S

Mol. Mass.

598.598

SMILES

COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F

Structure