Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50214125
Substrate
n/a
Meas. Tech.
ChEMBL_456282 (CHEMBL888296)
IC50
250±n/a nM
Citation
 Pégurier, C; Collart, P; Danhaive, P; Defays, S; Gillard, M; Gilson, F; Kogej, T; Pasau, P; Van Houtvin, N; Van Thuyne, M; van Keulen, B Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett 17:4228-31 (2007) [PubMed]  Article
Target
Name:
C-C chemokine receptor type 3
Synonyms:
C-C CKR-3 | C-C chemokine receptor type 3 (CCR3) | CC-CKR-3 | CCR-3 | CCR3 | CCR3_HUMAN | CD_antigen=CD193 | CKR3 | CMKBR3 | Eosinophil eotaxin receptor
Type:
Enzyme
Mol. Mass.:
41053.88
Organism:
Homo sapiens (Human)
Description:
P51677
Residue:
355
Sequence:
MTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF
  
Inhibitor
Name:
BDBM50214125
Synonyms:
4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-2-(4-methoxypyridin-3-yl)-1,5-dimethyl-1,2-dihydropyrazol-3-one | CHEMBL246766
Type:
Small organic molecule
Emp. Form.:
C32H34ClF2N5O3
Mol. Mass.:
610.094
SMILES:
COc1ccncc1-n1n(C)c(C)c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c1=O |(16.01,-34.03,;16.78,-35.36,;16.01,-36.7,;14.47,-36.68,;13.69,-38.01,;14.45,-39.35,;15.99,-39.36,;16.77,-38.04,;18.3,-38.06,;18.78,-39.53,;17.87,-40.77,;20.32,-39.53,;21.22,-40.77,;20.8,-38.06,;22.12,-37.28,;22.1,-35.74,;20.76,-34.98,;20.74,-33.44,;19.4,-32.69,;19.39,-31.15,;18.05,-30.39,;16.72,-31.18,;15.38,-30.43,;16.74,-32.73,;18.08,-33.47,;23.43,-34.95,;24.78,-35.72,;26.1,-34.94,;26.09,-33.4,;24.74,-32.64,;23.41,-33.42,;27.41,-32.62,;27.4,-31.08,;28.75,-33.38,;30.07,-32.6,;30.06,-31.06,;31.41,-33.35,;31.43,-34.9,;30.1,-35.68,;28.76,-34.92,;27.43,-35.69,;19.55,-37.16,;19.55,-35.62,)|
Structure:
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