Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50185676'   

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))	BDBM50185676 ((R)-N-(1-(3-(2,3-difluorophenyl)-3-(4-(methylsulfo...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(F)c2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H38F2N2O5S2/c1-4-36(31(37)22-23-8-12-26(13-9-23)42(2,38)39)25-16-19-35(20-17-25)21-18-28(29-6-5-7-30(33)32(29)34)24-10-14-27(15-11-24)43(3,40)41/h5-15,25,28H,4,16-22H2,1-3H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
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