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BDBM50358617 CHEMBL1921866

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

InChI Key: InChIKey=GLFHPZGUFITFSB-OZBJMMHXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358617   
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)
BDBM50358617
PNG
(CHEMBL1921866)
Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(N)c(nc1Cl)C(=O)NCC(C)O
Show InChI InChI=1S/C26H37Cl2N7O2/c1-3-20-16-34(25-23(28)31-22(24(29)32-25)26(37)30-14-17(2)36)12-13-35(20)21-8-10-33(11-9-21)15-18-4-6-19(27)7-5-18/h4-7,17,20-21,36H,3,8-16H2,1-2H3,(H2,29,32)(H,30,37)/t17?,20-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/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