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3 similar compounds to monomer 50446659

Compile data set for download or QSAR
Wt: 519.4
BDBM50446656
Wt: 518.4
BDBM50446657
Wt: 476.4
BDBM50446660

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50446656,50446657,50446660   
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))
BDBM50446656
PNG
(CHEMBL3116471)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nnn[nH]1
Show InChI InChI=1S/C24H29Cl2FN8/c1-2-19-15-34(24-21(26)11-17(13-28-24)23-29-31-32-30-23)9-10-35(19)20-5-7-33(8-6-20)14-16-3-4-18(25)12-22(16)27/h3-4,11-13,19-20H,2,5-10,14-15H2,1H3,(H,29,30,31,32)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+3n/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))
BDBM50446660
PNG
(CHEMBL3116467)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)C#N
Show InChI InChI=1S/C24H28Cl2FN5/c1-2-20-16-31(24-22(26)11-17(13-28)14-29-24)9-10-32(20)21-5-7-30(8-6-21)15-18-3-4-19(25)12-23(18)27/h3-4,11-12,14,20-21H,2,5-10,15-16H2,1H3/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/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))
BDBM50446657
PNG
(CHEMBL3116470)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nnc[nH]1
Show InChI InChI=1S/C25H30Cl2FN7/c1-2-20-15-34(25-22(27)11-18(13-29-25)24-30-16-31-32-24)9-10-35(20)21-5-7-33(8-6-21)14-17-3-4-19(26)12-23(17)28/h3-4,11-13,16,20-21H,2,5-10,14-15H2,1H3,(H,30,31,32)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80n/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