BDBM50419848 CHEMBL1950622

SMILES: Oc1cc(Cc2ccccc2)c(O)n1-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1

InChI Key: InChIKey=LGOCSBHTHSNPFM-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50419848   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419848 (CHEMBL1950622) Show SMILES Oc1cc(Cc2ccccc2)c(O)n1-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(-1.18,1.8,;.36,1.79,;.83,3.25,;2.36,3.25,;3.11,4.6,;4.65,4.62,;5.43,3.3,;6.97,3.33,;7.72,4.68,;6.92,6,;5.38,5.97,;2.84,1.79,;4.3,1.32,;1.61,.89,;1.6,-.63,;2.93,-1.4,;2.93,-2.95,;1.6,-3.72,;.27,-2.94,;.27,-1.4,;-1.06,-.63,;-1.05,.91,;-2.39,-1.39,;-3.73,-.62,;-5.06,-1.38,;-6.39,-.61,;-7.72,-1.38,;-7.72,-2.92,;-6.39,-3.69,;-6.39,-5.23,;-5.06,-6,;-3.72,-5.23,;-2.39,-6,;-1.06,-5.23,;-1.06,-3.69,;-2.4,-2.92,;-3.73,-3.69,;-5.06,-2.92,)| Show InChI InChI=1S/C32H34N2O4/c35-30-21-27(20-25-12-5-2-6-13-25)31(36)34(30)29-16-8-7-15-28(29)32(37)38-23-26-14-9-18-33(22-26)19-17-24-10-3-1-4-11-24/h1-8,10-13,15-16,21,26,35-36H,9,14,17-20,22-23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair