Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C motif chemokine 5' and Ligand = 'BDBM50329254'   

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-C motif chemokine 5 (Homo sapiens (Human))	BDBM50329254 (3-chloro-4-((3aR,6aS)-5-(3-(1-(methylsulfonyl)pipe...) Show SMILES CS(=O)(=O)N1CCC(CC1)C(CCN1C[C@H]2CN(C[C@H]2C1)C(=O)S(=O)(=O)c1ccc(cc1Cl)C#N)c1ccccc1 |r| Show InChI InChI=1S/C29H35ClN4O5S2/c1-40(36,37)34-13-9-23(10-14-34)26(22-5-3-2-4-6-22)11-12-32-17-24-19-33(20-25(24)18-32)29(35)41(38,39)28-8-7-21(16-31)15-27(28)30/h2-8,15,23-26H,9-14,17-20H2,1H3/t24-,25+,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of RANTES				Bioorg Med Chem Lett 20: 6802-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.118 BindingDB Entry DOI: 10.7270/Q29G5N1F
					More data for this Ligand-Target Pair