Reaction Details | |||
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Target | C-C chemokine receptor type 7 | ||
Ligand | BDBM50463591 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1778811 (CHEMBL4235803) | ||
IC50 | 9400±n/a nM | ||
Citation | Tawaraishi, T; Sakauchi, N; Hidaka, K; Yoshikawa, K; Okui, T; Kuno, H; Chisaki, I; Aso, K Identification of a novel series of potent and selective CCR6 inhibitors as biological probes. Bioorg Med Chem Lett28:3067-3072 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
C-C chemokine receptor type 7 | |||
Name: | C-C chemokine receptor type 7 | ||
Synonyms: | CCR7 | CCR7_HUMAN | CMKBR7 | EBI1 | EVI1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 42885.12 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_338819 | ||
Residue: | 378 | ||
Sequence: |
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BDBM50463591 | |||
n/a | |||
Name | BDBM50463591 | ||
Synonyms: | CHEMBL4248604 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H23F3N4O3S | ||
Mol. Mass. | 504.525 | ||
SMILES | NC(=O)c1cc(ccn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.47,-12.84,;21.14,-12.07,;21.13,-10.53,;19.81,-12.84,;18.47,-12.08,;17.15,-12.85,;17.14,-14.39,;18.47,-15.16,;19.81,-14.39,;15.82,-12.08,;14.48,-12.85,;13.15,-12.07,;13.16,-10.53,;14.49,-9.76,;15.82,-10.53,;11.83,-9.76,;11.05,-8.42,;12.59,-8.42,;10.5,-10.53,;10.49,-12.07,;9.16,-12.83,;7.83,-12.05,;7.82,-10.52,;9.16,-9.75,;6.5,-12.83,;5.16,-12.06,;5.16,-10.51,;3.82,-9.74,;2.49,-10.52,;2.49,-12.06,;3.83,-12.83,;1.16,-9.75,;-.18,-10.52,;.38,-8.41,;1.92,-8.41,)| | ||
Structure |