Reaction Details Report a problem with these data
Target
Cytochrome P450 4B1
Ligand
BDBM50244440
Substrate
n/a
Meas. Tech.
ChEMBL_1989050 (CHEMBL4622597)
IC50
>10000±n/a nM
Citation
 Crawford, JJ; Lee, W; Johnson, AR; Delatorre, KJ; Chen, J; Eigenbrot, C; Heidmann, J; Kakiuchi-Kiyota, S; Katewa, A; Kiefer, JR; Liu, L; Lubach, JW; Misner, D; Purkey, H; Reif, K; Vogt, J; Wong, H; Yu, C; Young, WB Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. ACS Med Chem Lett 11:1588-1597 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 4B1
Synonyms:
1.14.14.1 | CP4B1_HUMAN | CYP4B1 | CYPIVB1 | Cytochrome P450 4B1 | Cytochrome P450-HP
Type:
PROTEIN
Mol. Mass.:
59005.59
Organism:
Human
Description:
ChEMBL_119703
Residue:
511
Sequence:
MVPSFLSLSFSSLGLWASGLILVLGFLKLIHLLLRRQTLAKAMDKFPGPPTHWLFGHALEIQETGSLDKVVSWAHQFPYAHPLWFGQFIGFLNIYEPDYAKAVYSRGDPKAPDVYDFFLQWIGRGLLVLEGPKWLQHRKLLTPGFHYDVLKPYVAVFTESTRIMLDKWEEKAREGKSFDIFCDVGHMALNTLMKCTFGRGDTGLGHRDSSYYLAVSDLTLLMQQRLVSFQYHNDFIYWLTPHGRRFLRACQVAHDHTDQVIRERKAALQDEKVRKKIQNRRHLDFLDILLGARDEDDIKLSDADLRAEVDTFMFEGHDTTTSGISWFLYCMALYPEHQHRCREEVREILGDQDFFQWDDLGKMTYLTMCIKESFRLYPPVPQVYRQLSKPVTFVDGRSLPAGSLISMHIYALHRNSAVWPDPEVFDSLRFSTENASKRHPFAFMPFSAGPRNCIGQQFAMSEMKVVTAMCLLRFEFSLDPSRLPIKMPQLVLRSKNGFHLHLKPLGPGSGK
  
Inhibitor
Name:
BDBM50244440
Synonyms:
CHEMBL4065122
Type:
Small organic molecule
Emp. Form.:
C37H44N8O4
Mol. Mass.:
664.7965
SMILES:
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
Structure:
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