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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | C-X-C chemokine receptor type 3 | ||
| Ligand | BDBM166486 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1622750 (CHEMBL3865102) | ||
| IC50 | 1000±n/a nM | ||
| Citation |  Bata, I; Tömösközi, Z; Buzder-Lantos, P; Vasas, A; Szeleczky, G; Bátori, S; Barta-Bodor, V; Balázs, L; Ferenczy, GG I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines. Bioorg Med Chem Lett26:5418-5428 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| C-X-C chemokine receptor type 3 | |||
| Name: | C-X-C chemokine receptor type 3 | ||
| Synonyms: | AAO92295.1 | C-X-C chemokine receptor type 3 | C-X-C chemokine receptor type 3 (CXCR3) | C-X-C chemokine receptor type 3 (CXCR3A) | CXCR3 | CXCR3A | CXCR3_HUMAN | GPR9 | chemokine (C-X-C motif) receptor 3 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 40665.65 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 368 | ||
| Sequence: |
| ||
| BDBM166486 | |||
| n/a | |||
| Name | BDBM166486 | ||
| Synonyms: | US9073853, 45 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C32H39ClN2O5 | ||
| Mol. Mass. | 567.115 | ||
| SMILES | COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1CCCN1C(=O)CCC1=O |r,wU:17.17,8.7,wD:11.14,(5.16,-2.3,;3.82,-3.07,;2.49,-2.3,;1.16,-3.07,;-.18,-2.3,;-1.51,-3.07,;-2.85,-2.3,;-2.85,-.76,;-1.76,.33,;-2.15,1.82,;-1.07,2.91,;.42,2.51,;.82,1.02,;-.27,-.07,;1.51,3.6,;1.11,5.08,;3,3.2,;-4.18,-3.07,;-4.18,-4.61,;-5.64,-5.08,;-6.55,-3.84,;-8.08,-3.68,;-8.71,-2.27,;-10.19,-1.87,;-7.8,-1.02,;-6.27,-1.19,;-5.64,-2.59,;-.18,-.76,;1.16,.01,;2.49,-.76,;3.82,.01,;5.16,-.76,;6.49,.01,;7.82,-.76,;7.82,-2.3,;6.49,-3.07,;9.29,-2.77,;10.19,-1.53,;9.29,-.28,;9.69,1.2,)| | ||
| Structure | 
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