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BDBM50301327 6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(4-fluorobenzyl)nicotinamide::CHEMBL570705

SMILES: Fc1ccc(CNC(=O)c2ccc(nc2)N2CCN(CC2)C2CCN(Cc3ccc(cc3)C#N)CC2)cc1

InChI Key: InChIKey=HUFURECDUXVMKN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50301327   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))		BDBM50301327
PNG
(6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-...)
Show SMILES Fc1ccc(CNC(=O)c2ccc(nc2)N2CCN(CC2)C2CCN(Cc3ccc(cc3)C#N)CC2)cc1
Show InChI InChI=1S/C30H33FN6O/c31-27-8-5-24(6-9-27)20-34-30(38)26-7-10-29(33-21-26)37-17-15-36(16-18-37)28-11-13-35(14-12-28)22-25-3-1-23(19-32)2-4-25/h1-10,21,28H,11-18,20,22H2,(H,34,38)
UniProtKB/SwissProt

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Similars
Article
PubMed
 7.20E+3n/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