Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 522.4 BDBM50358612

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))	BDBM50358612 (CHEMBL1921861) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(CO)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)C(N)=O |r| Show InChI InChI=1S/C24H33Cl2N7O2/c1-2-17-13-32(24-21(26)29-20(23(28)35)22(27)30-24)11-12-33(17)18-7-9-31(10-8-18)19(14-34)15-3-5-16(25)6-4-15/h3-6,17-19,34H,2,7-14H2,1H3,(H2,27,30)(H2,28,35)/t17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
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