BDBM50129248 CHEMBL3629533

SMILES: COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC

InChI Key: InChIKey=YXGVPWUJZGXZLR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50129248   

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
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50129248 (CHEMBL3629533) Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC Show InChI InChI=1S/C24H31NO4/c1-25-15-13-24(14-16-25,20-7-5-4-6-8-20)18-29-23(26)12-10-19-9-11-21(27-2)22(17-19)28-3/h4-9,11,17H,10,12-16,18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis				Bioorg Med Chem Lett 25: 5032-5 (2015) BindingDB Entry DOI: 10.7270/Q2S75J4G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50129248 (CHEMBL3629533) Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC Show InChI InChI=1S/C24H31NO4/c1-25-15-13-24(14-16-25,20-7-5-4-6-8-20)18-29-23(26)12-10-19-9-11-21(27-2)22(17-19)28-3/h4-9,11,17H,10,12-16,18H2,1-3H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis				Bioorg Med Chem Lett 25: 5032-5 (2015) BindingDB Entry DOI: 10.7270/Q2S75J4G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50129248 (CHEMBL3629533) Show SMILES COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC Show InChI InChI=1S/C24H31NO4/c1-25-15-13-24(14-16-25,20-7-5-4-6-8-20)18-29-23(26)12-10-19-9-11-21(27-2)22(17-19)28-3/h4-9,11,17H,10,12-16,18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis				Bioorg Med Chem Lett 25: 5032-5 (2015) BindingDB Entry DOI: 10.7270/Q2S75J4G
					More data for this Ligand-Target Pair