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2 similar compounds to monomer 50446651

Compile data set for download or QSAR
Wt: 545.4
BDBM50446650
Wt: 517.4
BDBM50446652

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50446650,50446652   
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 (Human))
BDBM50446652
PNG
(CHEMBL3116475)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)-c1nnco1
Show InChI InChI=1S/C24H30Cl2N8O/c1-2-18-14-33(23-21(26)29-20(22(27)30-23)24-31-28-15-35-24)11-12-34(18)19-7-9-32(10-8-19)13-16-3-5-17(25)6-4-16/h3-6,15,18-19H,2,7-14H2,1H3,(H2,27,30)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50446650
PNG
(CHEMBL3116477)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)-c1nnc(C)o1
Show InChI InChI=1S/C25H30Cl2N8O2/c1-3-18-14-34(23-21(27)29-20(22(28)30-23)24-32-31-15(2)37-24)12-13-35(18)19-8-10-33(11-9-19)25(36)16-4-6-17(26)7-5-16/h4-7,18-19H,3,8-14H2,1-2H3,(H2,28,30)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/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