Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 3
Ligand
BDBM50214131
Substrate
n/a
Meas. Tech.
ChEMBL_456282 (CHEMBL888296)
IC50
100±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:
BDBM50214131
Synonyms:
4-(((4-chlorophenethyl)(1-(2,6-difluorobenzoyl)piperidin-4-yl)amino)methyl)-2-(4-chloropyridin-3-yl)-1,5-dimethyl-1,2-dihydropyrazol-3-one | CHEMBL394444
Type:
Small organic molecule
Emp. Form.:
C31H31Cl2F2N5O2
Mol. Mass.:
614.513
SMILES:
Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(CC2)C(=O)c2c(F)cccc2F)c(=O)n(-c2cnccc2Cl)n1C |(-1.41,-41.42,;-2.32,-40.18,;-1.84,-38.71,;-.52,-37.93,;-.53,-36.39,;-1.88,-35.63,;-1.89,-34.09,;-3.24,-33.34,;-3.25,-31.8,;-4.59,-31.04,;-5.92,-31.83,;-7.26,-31.08,;-5.9,-33.38,;-4.55,-34.12,;.79,-35.6,;2.14,-36.37,;3.46,-35.59,;3.45,-34.05,;2.11,-33.29,;.77,-34.07,;4.78,-33.27,;4.76,-31.73,;6.12,-34.03,;7.44,-33.25,;7.42,-31.71,;8.77,-34,;8.79,-35.55,;7.46,-36.33,;6.12,-35.57,;4.79,-36.35,;-3.09,-37.81,;-3.09,-36.27,;-4.33,-38.71,;-5.87,-38.69,;-6.65,-40.01,;-8.18,-40,;-8.95,-38.66,;-8.17,-37.33,;-6.57,-37.35,;-5.8,-36.01,;-3.86,-40.18,;-4.76,-41.42,)|
Structure:
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