| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 4 |
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| Ligand | BDBM50088301 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_39494 (CHEMBL656319) |
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| IC50 | >10000±n/a nM |
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| Citation |  Shiraishi, M; Aramaki, Y; Seto, M; Imoto, H; Nishikawa, Y; Kanzaki, N; Okamoto, M; Sawada, H; Nishimura, O; Baba, M; Fujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem43:2049-63 (2000) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| C-C chemokine receptor type 4 |
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| Name: | C-C chemokine receptor type 4 |
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| Synonyms: | C-C CKR-4 | C-C chemokine receptor type 4 | C-C chemokine receptor type 4 (CCR4) | CC-CKR-4 | CCR-4 | CCR4 | CCR4_HUMAN | CD_antigen=CD194 | CMKBR4 | K5-5 |
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| Type: | Enzyme |
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| Mol. Mass.: | 41406.41 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P51679 |
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| Residue: | 360 |
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| Sequence: | MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVV
VLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVG
FYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYT
ERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKA
VKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLN
PIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
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| BDBM50088301 |
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| n/a |
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| Name | BDBM50088301 |
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| Synonyms: | (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride | (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | CHEMBL41275 | CHEMBL64322 | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779) | N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride | TAK-779 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H39N2O2 |
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| Mol. Mass. | 495.6744 |
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| SMILES | Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| |
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| Structure | 
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