Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 621.4 BDBM50337220

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))	BDBM50337220 ((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...) Show SMILES C[C@H]1CN(CCN1c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C30H33Cl4N5O/c1-20-18-38(25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)12-13-39(20)29-28(34)15-23(17-35-29)30(40)36-16-22-4-7-26(32)27(33)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	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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