Reaction Details Report a problem with these data
Target
Chemokine (C-C motif) receptor 1
Ligand
BDBM50056504
Substrate
n/a
Meas. Tech.
ChEMBL_1452294 (CHEMBL3366548)
IC50
635±n/a nM
Citation
 Santella, JB; Gardner, DS; Duncia, JV; Wu, H; Dhar, M; Cavallaro, C; Tebben, AJ; Carter, PH; Barrish, JC; Yarde, M; Briceno, SW; Cvijic, ME; Grafstrom, RR; Liu, R; Patel, SR; Watson, AJ; Yang, G; Rose, AV; Vickery, RD; Caceres-Cortes, J; Caporuscio, C; Camac, DM; Khan, JA; An, Y; Foster, WR; Davies, P; Hynes, J Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. J Med Chem 57:7550-64 (2014) [PubMed]  Article 
Target
Name:
Chemokine (C-C motif) receptor 1
Synonyms:
CCR1 | Chemokine (C-C motif) receptor 1
Type:
PROTEIN
Mol. Mass.:
40875.91
Organism:
Canis familiaris
Description:
ChEMBL_109478
Residue:
354
Sequence:
MEPQRQQDYDQSTMYDYEGITPCQKGEVRTFGAQLLPPLYSLVFIIGLVGNILVLLVLMQYRRLKSMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWIFGDGTCKLLSGLYYTGLYSEILFIILLTVDRYLAIVHAVFALRVRTVIFGIISSIGAWVLALLASIPGFYFSKTQRELSHTTCSLHFPYEDLKAWKQFQALKLYLLGLVLPLSVMIICYTAIMQILLKRPNEKKAKAVRLIFVIMIVFFLFWTPYNLTVLVSAFQDSLFTDECRQSKQLDLAMQVTEVIAYTHCCVNPVIYAFVGERFRQYLHQLFHRLVARHLAKRFPFLSTDRLERASSMSPSTAEHELSAGF
  
Inhibitor
Name:
BDBM50056504
Synonyms:
CHEMBL3334824
Type:
Small organic molecule
Emp. Form.:
C23H36ClN3O4
Mol. Mass.:
454.003
SMILES:
CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Structure:
Search PDB for entries with ligand similarity: