Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50339990'   

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))	BDBM50339990 (3,5-dichloro-N-(3-(4-((pyridin-2-yloxy)(4-(trifluo...) Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H29Cl2F3N4O2/c1-18(9-13-36-27(38)25-22(29)16-34-17-23(25)30)37-14-10-20(11-15-37)26(39-24-4-2-3-12-35-24)19-5-7-21(8-6-19)28(31,32)33/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells				Bioorg Med Chem Lett 21: 2450-5 (2011) Article DOI: 10.1016/j.bmcl.2011.02.058 BindingDB Entry DOI: 10.7270/Q2F76CV3
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