Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 530.5 BDBM50337240

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))	BDBM50337240 ((S)-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-...) Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C28H37Cl2N5O/c1-21-19-34(27-26(30)17-23(18-31-27)28(36)33-11-3-2-4-12-33)15-16-35(21)25-9-13-32(14-10-25)20-22-5-7-24(29)8-6-22/h5-8,17-18,21,25H,2-4,9-16,19-20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	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