Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.5 BDBM50292656

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))	BDBM50292656 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES CN(N1CCNCC1)C(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C29H36BrN5O3/c1-33(35-17-13-31-14-18-35)27(37)22-3-2-4-24(19-22)29(12-9-26(36)32-28(29)38)23-10-15-34(16-11-23)20-21-5-7-25(30)8-6-21/h2-8,19,23,31H,9-18,20H2,1H3,(H,32,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
					More data for this Ligand-Target Pair