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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50209000'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50209000
PNG
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiper...)
Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)NCCN
Show InChI InChI=1S/C24H30ClFN4O3/c1-16-13-30(17(2)12-29(16)14-18-3-6-20(26)7-4-18)23(31)15-33-22-8-5-19(25)11-21(22)24(32)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H,28,32)/t16-,17+/m0/s1
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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding Affinity at CCL3


Bioorg Med Chem Lett 17: 3109-12 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH
More data for this
Ligand-Target Pair