Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50231358
Substrate
n/a
Meas. Tech.
ChEMBL_465951 (CHEMBL947075)
IC50
0.15±n/a nM
Citation
Santella, JB; Gardner, DS; Yao, W; Shi, C; Reddy, P; Tebben, AJ; DeLucca, GV; Wacker, DA; Watson, PS; Welch, PK; Wadman, EA; Davies, P; Solomon, KA; Graden, DM; Yeleswaram, S; Mandlekar, S; Kariv, I; Decicco, CP; Ko, SS; Carter, PH; Duncia, JV From rigid cyclic templates to conformationally stabilized acyclic scaffolds. Part I: the discovery of CCR3 antagonist development candidate BMS-639623 with picomolar inhibition potency against eosinophil chemotaxis. Bioorg Med Chem Lett 18:576-85 (2008) [PubMed] Article
More Info.:
Target
Name:
C-C chemokine receptor type 3
Synonyms:
C-C CKR-3 | CC-CKR-3 | CCR-3 | CCR3 | CCR3_MACFA | CD_antigen=CD193 | CKR3 | CMKBR3
Type:
PROTEIN
Mol. Mass.:
40925.26
Organism:
Macaca fascicularis
Description:
ChEMBL_465951
Residue:
355
Sequence:
MTTSLDTVETFGPTSYDDDMGLLCEKADVGALIAQFVPPLYSLVFMVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLFTLPFWIHYVRERNWVFSHGMCKVLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVVTSIVTWGLAVLAALPEFIFYGTEELFPETLCSAIYPQDTVYSWRHFHTLRMTILCLALPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILISTYQSILFGPDCERSKHLDLFVLVTEVIAYSHCWVNPVIYAFVGERFRKYLRHFFHRHVLMHPGKYIPFLPSEKLERTSSVSPSTAEPELSIVF
Inhibitor
Name:
BDBM50231358
Synonyms:
1-((2R,3S)-4-((S)-3-(4-fluorobenzyl)piperidin-1-yl)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea | 1-{(1R,2S)-3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-2-hydroxy-1-methyl-propyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea | BMS-639623 | CHEMBL399495
Type:
Small organic molecule
Emp. Form.:
C25H32FN7O2
Mol. Mass.:
481.5657
SMILES:
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN1CCC[C@@H](Cc2ccc(F)cc2)C1 |r|