Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | C-C chemokine receptor type 2 | ||
Ligand | BDBM50331727 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_687876 (CHEMBL1291440) | ||
IC50 | 2.1±n/a nM | ||
Citation | Xue, CB; Wang, A; Meloni, D; Zhang, K; Kong, L; Feng, H; Glenn, J; Huang, T; Zhang, Y; Cao, G; Anand, R; Zheng, C; Xia, M; Han, Q; Robinson, DJ; Storace, L; Shao, L; Li, M; Brodmerkel, CM; Covington, M; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. Bioorg Med Chem Lett20:7473-8 (2010) [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: | CCR2_MOUSE | Ccr2 | Cmkbr2 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 42795.68 | ||
Organism: | Mus musculus | ||
Description: | ChEMBL_1502265 | ||
Residue: | 373 | ||
Sequence: |
| ||
BDBM50331727 | |||
n/a | |||
Name | BDBM50331727 | ||
Synonyms: | CHEMBL1289203 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-hydroxy-4-p-tolylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide | ||
Type | Small organic molecule | ||
Emp. Form. | C29H36F3N3O4 | ||
Mol. Mass. | 547.609 | ||
SMILES | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc(C)cc1 |r,wU:3.2,25.26,wD:7.8,28.30,(4.62,-48.68,;3.37,-47.78,;3.52,-46.25,;2.27,-45.35,;.81,-45.83,;-.1,-44.58,;.81,-43.34,;2.26,-43.81,;3.6,-43.04,;4.93,-43.81,;4.93,-45.35,;6.26,-43.04,;7.6,-43.81,;8.93,-43.04,;8.93,-41.5,;10.26,-43.81,;11.59,-43.04,;12.93,-43.81,;12.93,-45.36,;11.6,-46.13,;10.26,-45.36,;11.6,-47.67,;10.26,-48.44,;12.93,-48.44,;11.58,-49.2,;-1.64,-44.58,;-2.41,-45.92,;-3.95,-45.92,;-4.72,-44.58,;-5.13,-43.09,;-3.94,-43.25,;-2.41,-43.25,;-6.25,-44.58,;-7.02,-43.24,;-8.56,-43.24,;-9.33,-44.57,;-10.87,-44.57,;-8.56,-45.91,;-7.02,-45.91,)| | ||
Structure |