| Reaction Details |
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 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
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| Ligand | BDBM50190516 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_373785 (CHEMBL869749) |
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| IC50 | 170±n/a nM |
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| Citation |  Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Design, synthesis, and biological evaluation of the combinatorial library with a new spirodiketopiperazine scaffold. Discovery of novel potent and selective low-molecular-weight CCR5 antagonists. J Med Chem49:4140-52 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| C-C chemokine receptor type 5 |
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| Name: | C-C chemokine receptor type 5 |
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| Synonyms: | C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor |
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| Type: | Enzyme |
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| Mol. Mass.: | 40540.21 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P51681 |
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| Residue: | 352 |
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| Sequence: | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
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| BDBM50190516 |
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| n/a |
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| Name | BDBM50190516 |
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| Synonyms: | (RS)-1-butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride | 1-butyl-3-cyclohexylmethyl-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride | 1-butyl-3-cyclohexylmethyl-9-(4-phenoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride | CHEMBL536743 | rac-1-Butyl-3-(cyclohexylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride |
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| Type | Small organic molecule |
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| Emp. Form. | C32H43N3O3 |
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| Mol. Mass. | 517.7021 |
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| SMILES | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 |
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| Structure | 
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