Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 4
Ligand
BDBM50243996
Substrate
n/a
Meas. Tech.
ChEMBL_491885 (CHEMBL946415)
IC50
220±n/a nM
Citation
 Yokoyama, K; Ishikawa, N; Igarashi, S; Kawano, N; Hattori, K; Miyazaki, T; Ogino, S; Matsumoto, Y; Takeuchi, M; Ohta, M Discovery of potent CCR4 antagonists: Synthesis and structure-activity relationship study of 2,4-diaminoquinazolines. Bioorg Med Chem 16:7021-32 (2008) [PubMed]  Article 
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:
BDBM50243996
Synonyms:
CHEMBL510375 | N-Cycloheptyl-2-(4-isopropylpiperazine-1-yl)-6,7-dimethoxyquinazolin-4-amine
Type:
Small organic molecule
Emp. Form.:
C24H37N5O2
Mol. Mass.:
427.5829
SMILES:
COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCN(CC1)C(C)C
Structure:
Search PDB for entries with ligand similarity: