Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50224181 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_450533 (CHEMBL900823) |
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IC50 | >10000±n/a nM |
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Citation | Chen, C; Jiang, W; Tucci, F; Tran, JA; Fleck, BA; Hoare, SR; Joppa, M; Markison, S; Wen, J; Sai, Y; Johns, M; Madan, A; Chen, T; Chen, CW; Marinkovic, D; Arellano, M; Saunders, J; Foster, AC Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem50:5249-52 (2007) [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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BDBM50224181 |
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n/a |
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Name | BDBM50224181 |
Synonyms: | 1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine | CHEMBL427860 | N-((S)-1-(2-(4-((R)-3-(4-chlorophenyl)-2-methylpropanoyl)piperazin-1-yl)-5-methylphenyl)-2-methylpropyl)-3-(dimethylamino)propanamide |
Type | Small organic molecule |
Emp. Form. | C30H43ClN4O2 |
Mol. Mass. | 527.141 |
SMILES | CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r| |
Structure |
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