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BDBM50372014 CHEMBL270805

SMILES: CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1cnc3ccccc3n1)C2

InChI Key: InChIKey=CQKPQGPFKZFFHT-UHFFFAOYSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50372014   
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))
BDBM50372014
PNG
(CHEMBL270805)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1cnc3ccccc3n1)C2 |w:4.33,8.9,t:10,TLB:1:3:10.29.9:7.5.6|
Show InChI InChI=1S/C24H31N5O/c1-17(30)29-20-5-4-6-21(29)14-18(13-20)16-28-11-9-19(10-12-28)26-24-15-25-22-7-2-3-8-23(22)27-24/h2-3,7-8,13,15,19-21H,4-6,9-12,14,16H2,1H3,(H,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
143n/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