| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
|---|
| Ligand | BDBM50302545 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_597666 (CHEMBL1039965) |
|---|
| IC50 | 5200±n/a nM |
|---|
| Citation |  Wang, T; Yin, Z; Zhang, Z; Bender, JA; Yang, Z; Johnson, G; Yang, Z; Zadjura, LM; D'Arienzo, CJ; DiGiugno Parker, D; Gesenberg, C; Yamanaka, GA; Gong, YF; Ho, HT; Fang, H; Zhou, N; McAuliffe, BV; Eggers, BJ; Fan, L; Nowicka-Sans, B; Dicker, IB; Gao, Q; Colonno, RJ; Lin, PF; Meanwell, NA; Kadow, JF Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity J Med Chem52:7778-87 (2009) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2C9 |
|---|
| Name: | Cytochrome P450 2C9 |
|---|
| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 55636.33 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P11712 |
|---|
| Residue: | 490 |
|---|
| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
|---|
| BDBM50302545 |
|---|
| n/a |
|---|
| Name | BDBM50302545 |
|---|
| Synonyms: | (R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione | CHEMBL567570 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H21N3O3 |
|---|
| Mol. Mass. | 375.4204 |
|---|
| SMILES | C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
