| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
|---|
| Ligand | BDBM50019655 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1361155 (CHEMBL3292129) |
|---|
| IC50 | >50000±n/a nM |
|---|
| Citation |  Shirude, PS; Shandil, RK; Manjunatha, MR; Sadler, C; Panda, M; Panduga, V; Reddy, J; Saralaya, R; Nanduri, R; Ambady, A; Ravishankar, S; Sambandamurthy, VK; Humnabadkar, V; Jena, LK; Suresh, RS; Srivastava, A; Prabhakar, KR; Whiteaker, J; McLaughlin, RE; Sharma, S; Cooper, CB; Mdluli, K; Butler, S; Iyer, PS; Narayanan, S; Chatterji, M Lead optimization of 1,4-azaindoles as antimycobacterial agents. J Med Chem57:5728-37 (2014) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 1A2 |
|---|
| 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: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
|
|
|
|---|
| BDBM50019655 |
|---|
| n/a |
|---|
| Name | BDBM50019655 |
|---|
| Synonyms: | CHEMBL3291422 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H19F2N5O2 |
|---|
| Mol. Mass. | 375.3726 |
|---|
| SMILES | COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C |
|---|
| Structure | 
|
|---|
Search and Browse
