Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.4 BDBM50337253

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))	BDBM50337253 (5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidi...) Show SMILES CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)C(C2)C2CC2)c(Cl)c1 Show InChI InChI=1S/C27H34Cl2FN5O/c1-2-31-27(36)20-13-23(29)26(32-15-20)34-11-12-35(25(17-34)18-3-4-18)22-7-9-33(10-8-22)16-19-5-6-21(28)14-24(19)30/h5-6,13-15,18,22,25H,2-4,7-12,16-17H2,1H3,(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	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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