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BDBM50358630 CHEMBL1921879

SMILES: CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)C

InChI Key: InChIKey=JXOBHXULBSGIAE-INIZCTEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358630   
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)
BDBM50358630
PNG
(CHEMBL1921879)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)C
Show InChI InChI=1S/C25H34Cl2N8O2/c1-4-16-14-34(23-21(27)31-19(13-29-23)24(36)30-15(2)3)11-12-35(16)17-7-9-33(10-8-17)25(37)18-5-6-20(26)32-22(18)28/h5-6,13,15-17H,4,7-12,14H2,1-3H3,(H2,28,32)(H,30,36)/t16-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.900n/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