| Reaction Details |
|---|
 | Report a problem with these data |
| Target | C-C chemokine receptor type 5 |
|---|
| Ligand | BDBM50143740 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_462625 (CHEMBL929614) |
|---|
| IC50 | 1.4±n/a nM |
|---|
| Citation |  Thoma, G; Beerli, C; Bigaud, M; Bruns, C; Cooke, NG; Streiff, MB; Zerwes, HG Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo. Bioorg Med Chem Lett18:2000-5 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| C-C chemokine receptor type 5 |
|---|
| Name: | C-C chemokine receptor type 5 |
|---|
| Synonyms: | C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 40540.21 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P51681 |
|---|
| Residue: | 352 |
|---|
| Sequence: | MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
|
|
|
|---|
| BDBM50143740 |
|---|
| n/a |
|---|
| Name | BDBM50143740 |
|---|
| Synonyms: | (4-(4-(benzyl(phenyl)amino)piperidin-1-yl)-4-methylpiperidin-1-yl)(2,6-dimethylphenyl)methanone | CHEMBL301454 | [4-(Benzyl-phenyl-amino)-4'-methyl-[1,4']bipiperidinyl-1'-yl]-(2,6-dimethyl-phenyl)-methanone |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C33H41N3O |
|---|
| Mol. Mass. | 495.6981 |
|---|
| SMILES | Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1 |
|---|
| Structure | 
|
|---|
Search and Browse
