Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 4
Ligand
BDBM374632
Substrate
n/a
Meas. Tech.
ChEMBL_1866216 (CHEMBL4367191)
IC50
58±n/a nM
Citation
Jackson, JJ; Ketcham, JM; Younai, A; Abraham, B; Biannic, B; Beck, HP; Bui, MHT; Chian, D; Cutler, G; Diokno, R; Hu, DX; Jacobson, S; Karbarz, E; Kassner, PD; Marshall, L; McKinnell, J; Meleza, C; Okal, A; Pookot, D; Reilly, MK; Robles, O; Shunatona, HP; Talay, O; Walker, JR; Wadsworth, A; Wustrow, DJ; Zibinsky, M Discovery of a Potent and Selective CCR4 Antagonist That Inhibits T J Med Chem 62:6190-6213 (2019) [PubMed] Article
More Info.:
Target
Name:
C-C chemokine receptor type 4
Synonyms:
C-C CKR-4 | C-C chemokine receptor type 4 | C-C chemokine receptor type 4 (CCR4) | CC-CKR-4 | CCR-4 | CCR4 | CCR4_HUMAN | CD_antigen=CD194 | CMKBR4 | K5-5
Type:
Enzyme
Mol. Mass.:
41406.41
Organism:
Homo sapiens (Human)
Description:
P51679
Residue:
360
Sequence:
MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
Inhibitor
Name:
BDBM374632
Synonyms:
6-((3R,4S)-4-(Azetidin-1-yl)-3-methylpiperidin-1-yl)-1-((R)-1-(2,4-dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazine hydrochloride | US10246462, Example 13
Type:
Small organic molecule
Emp. Form.:
C23H28Cl2N6
Mol. Mass.:
459.415
SMILES:
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC1 |r|