null

SMILES: CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1

InChI Key: InChIKey=YSWSTCPJOBIUIS-YTMVLYRLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50312817   

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
Acetylcholinesterase (Mus musculus (mouse))	BDBM50312817 ((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-4-yl)ethyl)-...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-5-7-23(8-6-22)31-28(34)35-24-9-10-26-25(19-24)29(3)14-18-33(27(29)32(26)4)17-13-21-11-15-30-16-12-21/h5-12,15-16,19-20,27H,13-14,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method				Bioorg Med Chem Lett 20: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4
					More data for this Ligand-Target Pair
Cholinesterase (Mus musculus (Mouse))	BDBM50312817 ((3aS,8aR)-3a,8-dimethyl-1-(2-(pyridin-4-yl)ethyl)-...) Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCc5ccncc5)CC[C@@]4(C)c3c2)cc1 |r| Show InChI InChI=1S/C29H34N4O2/c1-20(2)22-5-7-23(8-6-22)31-28(34)35-24-9-10-26-25(19-24)29(3)14-18-33(27(29)32(26)4)17-13-21-11-15-30-16-12-21/h5-12,15-16,19-20,27H,13-14,17-18H2,1-4H3,(H,31,34)/t27-,29-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method				Bioorg Med Chem Lett 20: 1718-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.057 BindingDB Entry DOI: 10.7270/Q2RV0NV4
					More data for this Ligand-Target Pair