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BDBM50177613 (R)-2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)butan-1-ol::CHEMBL203715

SMILES: CC[C@H](CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12

InChI Key: InChIKey=ZWIOHZARRGGENW-OAHLLOKOSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50177613   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177613
PNG
((R)-2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
Show InChI InChI=1S/C22H23N5O2S2/c1-2-15(12-28)24-19-18-20(25-21(23)31-18)27-22(26-19)30-13-14-7-6-10-17(11-14)29-16-8-4-3-5-9-16/h3-11,15,28H,2,12-13H2,1H3,(H3,23,24,25,26,27)/t15-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair