Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50313883'   

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))	BDBM50313883 (CHEMBL1077362 | trans-(5S)-5-butyl-9-((3aR,6aS)-2-...) Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r,wU:8.7,wD:28.31,32.34,4.3,11.14,(1.09,-33.27,;-.45,-33.27,;-1.22,-34.61,;-2.76,-34.61,;-3.52,-35.95,;-5.06,-35.95,;-5.84,-37.29,;-7.38,-37.3,;-8.15,-35.96,;-9.69,-35.97,;-10.46,-34.63,;-9.69,-33.3,;-8.15,-33.3,;-7.38,-34.63,;-10.46,-31.96,;-9.68,-30.63,;-10.45,-29.3,;-5.06,-38.63,;-5.82,-39.97,;-3.51,-38.63,;-2.75,-37.29,;-1.96,-35.97,;-.43,-35.98,;.34,-37.32,;-.44,-38.65,;-1.98,-38.63,;1.88,-37.32,;2.78,-38.57,;4.25,-38.1,;5.71,-38.59,;6.62,-37.35,;5.73,-36.1,;4.26,-36.56,;2.8,-36.08,;8.16,-37.36,;8.94,-36.03,;8.93,-38.69,;8.15,-40.02,;6.61,-40.01,;8.91,-41.35,;10.45,-41.36,;11.23,-40.02,;10.46,-38.69,;11.23,-37.36,)| Show InChI InChI=1S/C35H55N5O4/c1-5-7-8-29-22-40(19-26-9-11-31(12-10-26)43-6-2)34(42)44-35(29)13-15-38(16-14-35)30-17-27-20-39(21-28(27)18-30)33(41)32-24(3)36-23-37-25(32)4/h23,26-31H,5-22H2,1-4H3/t26-,27-,28+,29-,30?,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	44	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells				Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T
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