Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 583.5 BDBM50175180

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))	BDBM50175180 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(nicotin...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccnc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C29H32Cl2N6O3/c1-2-33-29(40)37-14-4-13-36(15-16-37)26-9-7-21(17-25(26)35-28(39)22-5-3-11-32-19-22)27(38)34-12-10-20-6-8-23(30)18-24(20)31/h3,5-9,11,17-19H,2,4,10,12-16H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair