Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50321684'   

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))	BDBM50321684 (4-fluorobenzyl allyl(1-(((3S,4R)-1-(cyclopentaneca...) Show SMILES O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(F)cc1)C(=O)C1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C33H42FN3O4/c1-2-18-37(32(39)41-23-25-12-14-29(34)15-13-25)30-16-19-35(20-17-30)21-28-22-36(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28,30,40H,1,6-9,16-24H2/t28-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 4012-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.102 BindingDB Entry DOI: 10.7270/Q2H132Z4
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