BDBM50006611 CHEMBL45951

SMILES: CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C

InChI Key: InChIKey=WTPAXDRULIZRDJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50006611   

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 (RAT)	BDBM50006611 (CHEMBL45951) Show SMILES CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C |TLB:13:14:21:17.18| Show InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description The compound is evaluated for binding affinity against central muscarinic receptor by using [3H]- QNB as radioligand				J Med Chem 37: 1712-9 (1994) Article DOI: 10.1021/jm00037a023 BindingDB Entry DOI: 10.7270/Q2PG1VF6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50006611 (CHEMBL45951) Show SMILES CCC(Oc1ccc(Cl)cc1)C(=O)OC1CC2CCC(C1)N2C |TLB:13:14:21:17.18| Show InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair