Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50249493'   

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))	BDBM50249493 ((R)-2-((3S,4S)-3-((4-(2-benzyl-4-ethylthiazol-5-yl...) Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](CC(C)C)C(O)=O)CC1 |r| Show InChI InChI=1S/C34H45N3O2S/c1-4-30-33(40-32(35-30)20-25-11-7-5-8-12-25)27-15-17-36(18-16-27)21-28-22-37(31(34(38)39)19-24(2)3)23-29(28)26-13-9-6-10-14-26/h5-14,24,27-29,31H,4,15-23H2,1-3H3,(H,38,39)/t28-,29+,31+/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
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