Reaction Details | |||
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Target | C-C chemokine receptor type 2 | ||
Ligand | BDBM50382941 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_819955 (CHEMBL2032542) | ||
IC50 | 3.4±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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BDBM50382941 | |||
n/a | |||
Name | BDBM50382941 | ||
Synonyms: | CHEMBL2029424 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H30F3N5O4 | ||
Mol. Mass. | 557.5641 | ||
SMILES | O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncco1 |r,wU:4.7,wD:8.8,1.0,(24.38,-2.82,;25.71,-3.59,;27.04,-4.36,;28.37,-3.59,;28.37,-2.05,;27.04,-1.28,;25.71,-2.05,;29.71,-1.29,;31.04,-2.06,;31.06,-3.6,;32.53,-4.05,;33.42,-2.8,;32.5,-1.56,;34.75,-2.02,;34.74,-.48,;36.09,-2.78,;37.42,-2,;38.75,-2.76,;38.77,-4.3,;40.08,-1.98,;40.06,-.45,;41.38,.33,;42.73,-.43,;42.74,-1.97,;41.42,-2.75,;44.08,-2.73,;44.09,-4.27,;45.41,-1.95,;45.33,-3.62,;24.38,-4.37,;23.05,-3.59,;21.72,-4.37,;21.72,-5.91,;23.06,-6.68,;24.39,-5.9,;20.39,-6.68,;18.97,-6.07,;17.95,-7.21,;18.72,-8.54,;20.23,-8.22,)| | ||
Structure |