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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 = 'BDBM50446646'   
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))
BDBM50446646
PNG
(CHEMBL3116481)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(N)o1
Show InChI InChI=1S/C23H29Cl2N11O2/c1-2-12-11-35(20-17(25)30-16(19(27)31-20)21-32-33-23(28)38-21)9-10-36(12)13-5-7-34(8-6-13)22(37)14-3-4-15(24)29-18(14)26/h3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR3 receptor


Bioorg Med Chem Lett 24: 1085-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.009
BindingDB Entry DOI: 10.7270/Q2BZ67JQ
More data for this
Ligand-Target Pair