Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.4 BDBM50292655

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))	BDBM50292655 ((+/-)-1'-(4-bromobenzyl)-3-(3-(morpholine-4-carbon...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2cccc(c2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C28H32BrN3O4/c29-24-6-4-20(5-7-24)19-31-12-9-22(10-13-31)28(11-8-25(33)30-27(28)35)23-3-1-2-21(18-23)26(34)32-14-16-36-17-15-32/h1-7,18,22H,8-17,19H2,(H,30,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
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