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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'chemokine (C-X-C motif) receptor 3' and Ligand = 'BDBM50198391'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50198391
PNG
(1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(3-fluo...)
Show SMILES Fc1cc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)cc(c1)C(F)(F)F |t:13|
Show InChI InChI=1S/C22H29F4N3O/c23-18-12-17(22(24,25)26)13-20(14-18)28-21(30)27-19-8-10-29(11-9-19)15-16-6-4-2-1-3-5-7-16/h6,12-14,19H,1-5,7-11,15H2,(H2,27,28,30)/b16-6+
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 697-701 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.088
BindingDB Entry DOI: 10.7270/Q2833RPB
More data for this
Ligand-Target Pair