Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50088311'   

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 chemokine receptor type 5 (Homo sapiens (Human))	BDBM50088311 (CHEMBL61208 | Dimethyl-(tetrahydro-thiopyran-4-yl)...) Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCSCC2)cc1 |c:15| Show InChI InChI=1S/C32H36N2O2S/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-17-36-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-18-37-19-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES				J Med Chem 43: 2049-63 (2000) BindingDB Entry DOI: 10.7270/Q26D5S75
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