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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 3' and Ligand = 'BDBM50387664'   
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 3


(Homo sapiens (Human))
BDBM50387664
PNG
(CHEMBL2057766)
Show SMILES Fc1ccc2cc(CN3[C@@H]4CC[C@@H]3CC(C4)NC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3F)ccc2c1 |r,TLB:7:8:14.15.13:10.11,16:14:8:10.11|
Show InChI InChI=1S/C30H32F2N4O2/c31-22-10-9-20-14-19(7-8-21(20)15-22)18-36-24-11-12-25(36)17-23(16-24)33-30(38)35-13-3-6-28(35)29(37)34-27-5-2-1-4-26(27)32/h1-2,4-5,7-10,14-15,23-25,28H,3,6,11-13,16-18H2,(H,33,38)(H,34,37)/t24-,25-,28+/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR3


Bioorg Med Chem Lett 22: 4951-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.042
BindingDB Entry DOI: 10.7270/Q2057H06
More data for this
Ligand-Target Pair