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SMILES: Clc1cc(cnc1N1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)NCCOc1ccccc1

InChI Key: InChIKey=MFYIKGXKHNXDKH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301339   
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 3


(Homo sapiens (Human))		BDBM50301339
PNG
(5-chloro-6-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)pi...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H33ClN6O3/c32-28-20-25(30(39)34-12-19-41-27-4-2-1-3-5-27)22-35-29(28)37-17-15-36(16-18-37)26-10-13-38(14-11-26)31(40)24-8-6-23(21-33)7-9-24/h1-9,20,22,26H,10-19H2,(H,34,39)
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 320n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair