Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50214140
Substrate
n/a
Meas. Tech.
ChEMBL_456282 (CHEMBL888296)
IC50
40±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:
BDBM50214140
Synonyms:
4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-2-(2-fluorophenyl)-1,5-dimethyl-1,2-dihydropyrazol-3-one | CHEMBL395850
Type:
Small organic molecule
Emp. Form.:
C32H32ClF3N4O2
Mol. Mass.:
597.07
SMILES:
Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2F)n1C |(-3.72,-41.36,;-4.63,-40.11,;-4.15,-38.64,;-2.83,-37.86,;-2.84,-36.32,;-4.19,-35.56,;-4.2,-34.02,;-5.55,-33.27,;-5.56,-31.73,;-6.9,-30.98,;-8.23,-31.76,;-9.57,-31.01,;-8.21,-33.31,;-6.86,-34.06,;-1.52,-35.53,;-.17,-36.3,;1.15,-35.52,;1.14,-33.98,;-.2,-33.22,;-1.54,-34,;2.47,-33.2,;2.45,-31.66,;3.81,-33.96,;5.13,-33.18,;5.11,-31.64,;6.46,-33.93,;6.48,-35.48,;5.15,-36.26,;3.81,-35.5,;2.48,-36.28,;-5.4,-37.74,;-5.4,-36.2,;-6.64,-38.64,;-8.18,-38.62,;-8.96,-39.94,;-10.49,-39.94,;-11.26,-38.59,;-10.48,-37.26,;-8.94,-37.28,;-8.16,-35.95,;-6.17,-40.11,;-7.07,-41.36,)|
Structure:
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