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BDBM50446640 CHEMBL3116487

SMILES: CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(Cl)n1

InChI Key: InChIKey=NSSVIPMUXWWNIH-HNNXBMFYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446640   
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)
BDBM50446640
PNG
(CHEMBL3116487)
Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(Cl)n1
Show InChI InChI=1S/C25H32Cl2N10O2/c1-3-15-14-36(22-20(27)31-18(13-30-22)23-33-34-25(39-23)29-4-2)11-12-37(15)16-7-9-35(10-8-16)24(38)17-5-6-19(26)32-21(17)28/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,28,32)(H,29,34)/t15-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/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