Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.5 BDBM50198409

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))	BDBM50198409 (CHEMBL245034 | methyl 3-(3-(1-(((1R,5S)-6,6-dimeth...) Show SMILES COC(=O)c1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 |t:18| Show InChI InChI=1S/C24H33N3O3/c1-24(2)18-8-7-17(21(24)14-18)15-27-11-9-19(10-12-27)25-23(29)26-20-6-4-5-16(13-20)22(28)30-3/h4-7,13,18-19,21H,8-12,14-15H2,1-3H3,(H2,25,26,29)/t18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	376	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