Reaction Details | |||
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Target | C-C chemokine receptor type 2 | ||
Ligand | BDBM50382936 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_819954 (CHEMBL2032541) | ||
IC50 | 11±n/a nM | ||
Citation | Xue, CB; Wang, A; Han, Q; Zhang, Y; Cao, G; Feng, H; Huang, T; Zheng, C; Xia, M; Zhang, K; Kong, L; Glenn, J; Anand, R; Meloni, D; Robinson, DJ; Shao, L; Storace, L; Li, M; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Scherle, P; Diamond, S; Emm, T; Yeleswaram, S; Contel, N; Vaddi, K; Newton, R; Hollis, G; Metcalf, B Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist. ACS Med Chem Lett2:913-918 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
C-C chemokine receptor type 2 | |||
Name: | C-C chemokine receptor type 2 | ||
Synonyms: | C-C chemokine receptor type 2 (CCR2) | CCR2 | CCR2_HUMAN | CMKBR2 | Chemoattractant Cytokine Receptor 2 (CCR2) | Chemokine Receptor Type 2b (CCR2b) | Monocyte chemotactic protein-1 (MCP-1) | ||
Type: | Enzyme | ||
Mol. Mass.: | 41932.32 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P41597 | ||
Residue: | 374 | ||
Sequence: |
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BDBM50382936 | |||
n/a | |||
Name | BDBM50382936 | ||
Synonyms: | CHEMBL2029571 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H36N8O2 | ||
Mol. Mass. | 552.6699 | ||
SMILES | O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.18,-29.46,;27.52,-30.23,;28.85,-30.99,;30.18,-30.23,;30.18,-28.69,;28.85,-27.91,;27.52,-28.69,;31.51,-27.93,;32.84,-28.7,;32.86,-30.23,;34.33,-30.69,;35.22,-29.43,;34.3,-28.2,;36.55,-28.66,;36.54,-27.12,;37.89,-29.42,;37.89,-30.95,;39.22,-31.71,;40.56,-30.94,;40.55,-29.39,;39.21,-28.63,;41.89,-31.7,;43.21,-30.92,;44.55,-31.68,;44.56,-33.23,;43.23,-34,;41.89,-33.24,;45.88,-30.9,;47.2,-30.12,;26.19,-31,;24.85,-30.23,;23.52,-31,;23.52,-32.55,;24.87,-33.31,;26.19,-32.54,;22.19,-33.32,;20.86,-32.56,;19.53,-33.33,;19.53,-34.87,;20.88,-35.64,;22.2,-34.86,)| | ||
Structure |