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SMILES: CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)(C)C

InChI Key: InChIKey=BJYRCSZRYLMYPY-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358628   
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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50358628
PNG
(CHEMBL1921877)
Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1Cl)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C26H36Cl2N8O2/c1-5-16-15-35(23-21(28)31-19(14-30-23)24(37)33-26(2,3)4)12-13-36(16)17-8-10-34(11-9-17)25(38)18-6-7-20(27)32-22(18)29/h6-7,14,16-17H,5,8-13,15H2,1-4H3,(H2,29,32)(H,33,37)/t16-/m0/s1
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UniChem

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Article
PubMed
n/an/a 1.5n/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