Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.4 BDBM50337248

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))	BDBM50337248 (4-(3-chloro-5-(methylcarbamoyl)pyridin-2-yl)-1-(1-...) Show SMILES CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)C(C2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C24H29Cl2N5O3/c1-27-23(32)17-12-20(26)22(28-13-17)30-10-11-31(21(15-30)24(33)34)19-6-8-29(9-7-19)14-16-2-4-18(25)5-3-16/h2-5,12-13,19,21H,6-11,14-15H2,1H3,(H,27,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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
					More data for this Ligand-Target Pair