Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.5 BDBM50198386

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))	BDBM50198386 (1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...) Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cc(F)cc(OC3CCOC3)c1)=CC2 |w:25.26,c:34| Show InChI InChI=1S/C26H36FN3O3/c1-26(2)18-4-3-17(24(26)11-18)15-30-8-5-20(6-9-30)28-25(31)29-21-12-19(27)13-23(14-21)33-22-7-10-32-16-22/h3,12-14,18,20,22,24H,4-11,15-16H2,1-2H3,(H2,28,29,31)/t18-,22?,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 697-701 (2007) Article DOI: 10.1016/j.bmcl.2006.10.088 BindingDB Entry DOI: 10.7270/Q2833RPB
					More data for this Ligand-Target Pair