Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 542.4 BDBM50292654

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))	BDBM50292654 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES OCCCNC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C27H32BrN3O4/c28-23-7-5-19(6-8-23)18-31-14-10-21(11-15-31)27(12-9-24(33)30-26(27)35)22-4-1-3-20(17-22)25(34)29-13-2-16-32/h1,3-8,17,21,32H,2,9-16,18H2,(H,29,34)(H,30,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	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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