Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.0 BDBM50337222

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))	BDBM50337222 (6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-2-methylpi...) Show SMILES CC1CN(CCN1c1ccc(cn1)C(=O)NCc1ccc(F)c(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C30H34ClF2N5O/c1-21-19-37(26-10-12-36(13-11-26)20-22-2-6-25(31)7-3-22)14-15-38(21)29-9-5-24(18-34-29)30(39)35-17-23-4-8-27(32)28(33)16-23/h2-9,16,18,21,26H,10-15,17,19-20H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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
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