Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50350067'   

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))	BDBM50350067 (CHEMBL1813455) Show SMILES CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)N(CCN)C(=O)[C@H](NC4=O)[C@H](O)C3CCCCC3)cc2)cc1 |r| Show InChI InChI=1S/C32H43N5O5/c1-34-29(39)24-9-13-26(14-10-24)42-25-11-7-22(8-12-25)21-36-18-15-32(16-19-36)31(41)35-27(30(40)37(32)20-17-33)28(38)23-5-3-2-4-6-23/h7-14,23,27-28,38H,2-6,15-21,33H2,1H3,(H,34,39)(H,35,41)/t27-,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
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