Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50173399'   

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))	BDBM50173399 (CHEMBL199147 | N-(1-(3,3-bis(4-fluorophenyl)propyl...) Show SMILES CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H36F2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50173399 (CHEMBL199147 | N-(1-(3,3-bis(4-fluorophenyl)propyl...) Show SMILES CCN(C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H36F2N2O3S/c1-3-35(31(36)22-23-4-14-29(15-5-23)39(2,37)38)28-16-19-34(20-17-28)21-18-30(24-6-10-26(32)11-7-24)25-8-12-27(33)13-9-25/h4-15,28,30H,3,16-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells				Bioorg Med Chem Lett 15: 5012-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.014 BindingDB Entry DOI: 10.7270/Q23R0SFG
					More data for this Ligand-Target Pair