Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM207624
Substrate
n/a
Meas. Tech.
ChEMBL_2024700 (CHEMBL4678513)
IC50
>10000±n/a nM
Citation
 Wang, H; Ren, B; Liu, Y; Jiang, B; Guo, Y; Wei, M; Luo, L; Kuang, X; Qiu, M; Lv, L; Xu, H; Qi, R; Yan, H; Xu, D; Wang, Z; Huo, CX; Zhu, Y; Zhao, Y; Wu, Y; Qin, Z; Su, D; Tang, T; Wang, F; Sun, X; Feng, Y; Peng, H; Wang, X; Gao, Y; Liu, Y; Gong, W; Yu, F; Liu, X; Wang, L; Zhou, C Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development. J Med Chem 63:15541-15563 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM207624
Synonyms:
US10501467, Example 69 | US9260440, 69 | US9617273, Example 69
Type:
Small organic molecule
Emp. Form.:
C16H15FN4O
Mol. Mass.:
298.3149
SMILES:
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
Structure:
Search PDB for entries with ligand similarity: