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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 = 'BDBM50100067'   
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))
BDBM50100067
PNG
(CHEMBL418041 | Naphthalene-1-carboxylic acid {(S)-...)
Show SMILES COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(cc2)C#N)NC(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H28N4O4/c1-20(29(36)34-24-14-16-25(39-2)17-15-24)33-31(38)28(18-21-10-12-22(19-32)13-11-21)35-30(37)27-9-5-7-23-6-3-4-8-26(23)27/h3-17,20,28H,18H2,1-2H3,(H,33,38)(H,34,36)(H,35,37)/t20-,28-/m0/s1
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against C-C chemokine receptor type 3


Bioorg Med Chem Lett 11: 1445-50 (2001)


BindingDB Entry DOI: 10.7270/Q23N22N6
More data for this
Ligand-Target Pair