Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50337238'   

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))	BDBM50337238 ((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...) Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(=O)NCC1CCCCC1 |r| Show InChI InChI=1S/C30H41Cl2N5O/c1-22-20-36(29-28(32)17-25(19-33-29)30(38)34-18-23-5-3-2-4-6-23)15-16-37(22)27-11-13-35(14-12-27)21-24-7-9-26(31)10-8-24/h7-10,17,19,22-23,27H,2-6,11-16,18,20-21H2,1H3,(H,34,38)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	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