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SMILES: CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(CC)n1

InChI Key: InChIKey=GMHZLTVEAIGJJD-KRWDZBQOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446637   
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))		BDBM50446637
PNG
(CHEMBL3116490)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(CC)n1 |r|
Show InChI InChI=1S/C27H37ClN10O2/c1-4-17-16-37(24-20(5-2)32-21(15-31-24)25-34-35-27(40-25)30-6-3)13-14-38(17)18-9-11-36(12-10-18)26(39)19-7-8-22(28)33-23(19)29/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H2,29,33)(H,30,35)/t17-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor

Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair