Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 588.4 BDBM50337225

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))	BDBM50337225 (5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3...) Show SMILES Fc1ccc(CNC(=O)c2cnc(N3CCN(C4CCN(Cc5ccc(Cl)cc5)CC4)C(=O)C3)c(Cl)c2)cc1F Show InChI InChI=1S/C29H29Cl2F2N5O2/c30-22-4-1-19(2-5-22)17-36-9-7-23(8-10-36)38-12-11-37(18-27(38)39)28-24(31)14-21(16-34-28)29(40)35-15-20-3-6-25(32)26(33)13-20/h1-6,13-14,16,23H,7-12,15,17-18H2,(H,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
					More data for this Ligand-Target Pair