Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.8 BDBM50337210

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))	BDBM50337210 ((S)-5-chloro-6-(4-(1-(2,4-dichlorobenzyl)piperidin...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C24H30Cl3N5O/c1-16-14-31(23-22(27)11-18(13-29-23)24(33)28-2)9-10-32(16)20-5-7-30(8-6-20)15-17-3-4-19(25)12-21(17)26/h3-4,11-13,16,20H,5-10,14-15H2,1-2H3,(H,28,33)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	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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