Reaction Details |
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Target | Cytochrome P450 2B6 |
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Ligand | BDBM35283 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_579852 (CHEMBL1063238) |
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IC50 | >40000±n/a nM |
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Citation | Shi, Y; Zhang, J; Shi, M; O'Connor, SP; Bisaha, SN; Li, C; Sitkoff, D; Pudzianowski, AT; Chong, S; Klei, HE; Kish, K; Yanchunas, J; Liu, EC; Hartl, KS; Seiler, SM; Steinbacher, TE; Schumacher, WA; Atwal, KS; Stein, PD Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett19:4034-41 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2B6 |
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Name: | Cytochrome P450 2B6 |
Synonyms: | CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6) |
Type: | Protein |
Mol. Mass.: | 56289.75 |
Organism: | Homo sapiens (Human) |
Description: | P20813 |
Residue: | 491 |
Sequence: | MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
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BDBM35283 |
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n/a |
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Name | BDBM35283 |
Synonyms: | CHEMBL551991 | cyanoguanidine, 3 |
Type | Small organic molecule |
Emp. Form. | C23H28N6O3 |
Mol. Mass. | 436.5068 |
SMILES | Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11| |
Structure |
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