Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.3 BDBM50292646

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))	BDBM50292646 ((+/-)-1'-(4-bromobenzyl)-3-(4-methoxyphenyl)-3,4'-...) Show SMILES COc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C24H27BrN2O3/c1-30-21-8-4-18(5-9-21)24(13-10-22(28)26-23(24)29)19-11-14-27(15-12-19)16-17-2-6-20(25)7-3-17/h2-9,19H,10-16H2,1H3,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+3	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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