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SMILES: CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc(-c2ccccc2)c1C#N

InChI Key: InChIKey=RGWHRJVENAGRJB-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 50048229   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50048229
PNG
(CHEMBL3310771)
Show SMILES CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C22H20F2N4OS/c1-22(2,13-29)28-20-16(11-25)19(14-7-4-3-5-8-14)26-21(27-20)30-12-15-9-6-10-17(23)18(15)24/h3-10,29H,12-13H2,1-2H3,(H,26,27,28)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay

Bioorg Med Chem Lett 24: 3285-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.011
BindingDB Entry DOI: 10.7270/Q2930VTJ
More data for this
Ligand-Target Pair