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BDBM50372002 CHEMBL256188

SMILES: CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(ccc3n1)C(F)(F)F)C2

InChI Key: InChIKey=PYRZZSOUEFMPHY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372002   
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))		BDBM50372002
PNG
(CHEMBL256188)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cc(ccc3n1)C(F)(F)F)C2 |w:4.37,8.9,t:10,TLB:1:3:10.33.9:7.5.6|
Show InChI InChI=1S/C26H31F3N4O/c1-17(34)33-22-3-2-4-23(33)14-18(13-22)16-32-11-9-21(10-12-32)30-25-8-5-19-15-20(26(27,28)29)6-7-24(19)31-25/h5-8,13,15,21-23H,2-4,9-12,14,16H2,1H3,(H,30,31)
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Similars
Article
PubMed
 21n/an/an/an/an/an/an/an/a



UCB Inflammation Discovery

Curated by ChEMBL


Assay Description
Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding

Bioorg Med Chem Lett 18: 629-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.075
BindingDB Entry DOI: 10.7270/Q29S1RWG
More data for this
Ligand-Target Pair