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BDBM50372003 CHEMBL272707

SMILES: CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cccc(Cl)c3n1)C2

InChI Key: InChIKey=LTLQBTWXVNYQCH-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 = 50372003   
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))
BDBM50372003
PNG
(CHEMBL272707)
Show SMILES CC(=O)N1C2CCCC1C=C(CN1CCC(CC1)Nc1ccc3cccc(Cl)c3n1)C2 |w:4.34,8.9,t:10,TLB:1:3:10.30.9:7.5.6|
Show InChI InChI=1S/C25H31ClN4O/c1-17(31)30-21-5-3-6-22(30)15-18(14-21)16-29-12-10-20(11-13-29)27-24-9-8-19-4-2-7-23(26)25(19)28-24/h2,4,7-9,14,20-22H,3,5-6,10-13,15-16H2,1H3,(H,27,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
624n/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