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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 = 'BDBM50358641'   
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))
BDBM50358641
PNG
(CHEMBL1921890)
Show SMILES CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(C)n1 |r|
Show InChI InChI=1S/C26H35ClN6O2/c1-4-21-17-32(24-18(3)30-23(16-29-24)25(34)28-5-2)14-15-33(21)22-10-12-31(13-11-22)26(35)19-6-8-20(27)9-7-19/h6-9,16,21-22H,4-5,10-15,17H2,1-3H3,(H,28,34)/t21-/m0/s1
PDB

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PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells


Bioorg Med Chem Lett 21: 6982-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.120
BindingDB Entry DOI: 10.7270/Q2T72HVN
More data for this
Ligand-Target Pair