Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.4 BDBM50292673

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292673 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES NS(=O)(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
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