BDBM50124940 (2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4'-methyl-[1,4']bipiperidinyl-1'-yl)-methanone::CHEMBL163078

SMILES: Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCCCC1

InChI Key: InChIKey=KRBMMTDOLHPSPA-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50124940   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CCR5/mu opioid receptor complex (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10	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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	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
CCR5/mu opioid receptor complex (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 UniProtKB/TrEMBL 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
CCR5/mu opioid receptor complex (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 UniProtKB/TrEMBL 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