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BDBM50358619 CHEMBL1921868

SMILES: CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=UYKYUPJVTLDNOT-IBGZPJMESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358619   
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)
BDBM50358619
PNG
(CHEMBL1921868)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C26H35Cl2F3N8O3S/c1-2-19-16-38(13-14-39(19)20-7-11-37(12-8-20)15-17-3-5-18(27)6-4-17)24-22(28)35-21(23(32)36-24)25(40)33-9-10-34-43(41,42)26(29,30)31/h3-6,19-20,34H,2,7-16H2,1H3,(H2,32,36)(H,33,40)/t19-/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