Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50258790 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_500561 (CHEMBL971426) |
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IC50 | >100000±n/a nM |
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Citation | Huynh, T; Chen, Z; Pang, S; Geng, J; Bandiera, T; Bindi, S; Vianello, P; Roletto, F; Thieffine, S; Galvani, A; Vaccaro, W; Poss, MA; Trainor, GL; Lorenzi, MV; Gottardis, M; Jayaraman, L; Purandare, AV Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Bioorg Med Chem Lett19:2924-7 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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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
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BDBM50258790 |
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n/a |
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Name | BDBM50258790 |
Synonyms: | (S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl)benzyl)propanamide | (S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide | CHEMBL468927 |
Type | Small organic molecule |
Emp. Form. | C23H18F3N7O2S |
Mol. Mass. | 513.495 |
SMILES | C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r| |
Structure |
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