Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.5 BDBM50412572

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))	BDBM50412572 (CHEMBL465305) Show SMILES CC(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:25:24:20.21:26| Show InChI InChI=1S/C21H29N3O4S/c1-15(25)16-4-5-19(22-13-16)23-8-10-24(11-9-23)29(27,28)14-21-7-6-17(12-18(21)26)20(21,2)3/h4-5,13,17H,6-12,14H2,1-3H3/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
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