Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.4 BDBM50292663

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))	BDBM50292663 ((+/-)-1'-(4-bromobenzyl)-1-(2-methoxyethyl)-3-phen...) Show SMILES COCCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1 Show InChI InChI=1S/C26H31BrN2O3/c1-32-18-17-29-24(30)11-14-26(25(29)31,21-5-3-2-4-6-21)22-12-15-28(16-13-22)19-20-7-9-23(27)10-8-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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