Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.4 BDBM50337245

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))	BDBM50337245 (CHEMBL1681877 | methyl 4-(3-chloro-5-(methylcarbam...) Show SMILES CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)C(C2)C(=O)OC)c(Cl)c1 Show InChI InChI=1S/C25H31Cl2N5O3/c1-28-24(33)18-13-21(27)23(29-14-18)31-11-12-32(22(16-31)25(34)35-2)20-7-9-30(10-8-20)15-17-3-5-19(26)6-4-17/h3-6,13-14,20,22H,7-12,15-16H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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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