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BDBM50372004 CHEMBL258272

SMILES: CN(C1CCN(CC2=CC3CCCC(C2)N3C(C)=O)CC1)c1nc2ccccc2s1

InChI Key: InChIKey=UPCCYIWXWGMCSO-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50372004   
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))
BDBM50372004
PNG
(CHEMBL258272)
Show SMILES CN(C1CCN(CC2=CC3CCCC(C2)N3C(C)=O)CC1)c1nc2ccccc2s1 |w:13.13,9.8,t:7,TLB:16:15:7.14.8:10.12.11|
Show InChI InChI=1S/C24H32N4OS/c1-17(29)28-20-6-5-7-21(28)15-18(14-20)16-27-12-10-19(11-13-27)26(2)24-25-22-8-3-4-9-23(22)30-24/h3-4,8-9,14,19-21H,5-7,10-13,15-16H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/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