Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50124940'   

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))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of the compound against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50124940 ((2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4'...) Show SMILES Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1 Show InChI InChI=1S/C19H29N3O2/c1-15-7-12-22(24)16(2)17(15)18(23)20-13-8-19(3,9-14-20)21-10-5-4-6-11-21/h7,12H,4-6,8-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay				Bioorg Med Chem Lett 13: 705-8 (2003) BindingDB Entry DOI: 10.7270/Q26H4GRT
					More data for this Ligand-Target Pair