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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50198401'   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50198401
PNG
(1-(5-bromopyridin-3-yl)-3-(1-(((1R,5S)-6,6-dimethy...)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cncc(Br)c1)=CC2 |c:27|
Show InChI InChI=1S/C21H29BrN4O/c1-21(2)15-4-3-14(19(21)9-15)13-26-7-5-17(6-8-26)24-20(27)25-18-10-16(22)11-23-12-18/h3,10-12,15,17,19H,4-9,13H2,1-2H3,(H2,24,25,27)/t15-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
171n/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