Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.9 BDBM50337257

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))	BDBM50337257 ((S)-6-(4-(1-((1H-pyrrol-2-yl)methyl)piperidin-4-yl...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccc[nH]3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C22H31ClN6O/c1-16-14-28(21-20(23)12-17(13-26-21)22(30)24-2)10-11-29(16)19-5-8-27(9-6-19)15-18-4-3-7-25-18/h3-4,7,12-13,16,19,25H,5-6,8-11,14-15H2,1-2H3,(H,24,30)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+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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