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BDBM50372016 CHEMBL402044

SMILES: CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3ccccc3n1)C2

InChI Key: InChIKey=DQQJTBKQLYIUIZ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372016   
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))
BDBM50372016
PNG
(CHEMBL402044)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3ccccc3n1)C2 |w:4.33,8.9,t:10,TLB:1:3:10.29.9:7.5.6|
Show InChI InChI=1S/C25H32N4O/c1-18(30)29-22-6-4-7-23(29)16-19(15-22)17-28-13-11-21(12-14-28)26-25-10-9-20-5-2-3-8-24(20)27-25/h2-3,5,8-10,15,21-23H,4,6-7,11-14,16-17H2,1H3,(H,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
135n/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