Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.4 BDBM50337216

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))	BDBM50337216 ((S)-5-chloro-6-(4-(1-(7-chloroquinoline-4-carbonyl...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(CC2)C(=O)c2ccnc3cc(Cl)ccc23)c(Cl)c1 |r| Show InChI InChI=1S/C27H30Cl2N6O2/c1-17-16-34(25-23(29)13-18(15-32-25)26(36)30-2)11-12-35(17)20-6-9-33(10-7-20)27(37)22-5-8-31-24-14-19(28)3-4-21(22)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H,30,36)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
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