BDBM50541561 CHEMBL4640168

SMILES: [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(C)c1

InChI Key: InChIKey=RWPMOFHNKBIUEY-OHBSULSQSA-N

Data: 2 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 2 hits for monomerid = 50541561   

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 (Homo sapiens (Human))	BDBM50541561 (CHEMBL4640168) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(C)c1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-5-4-6-16(9-15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)8-7-17(29-2)10-21(26)27/h4-9,11,17,21-22H,10,12-14H2,1-3H3/t17-,21-,22+,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020)
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50541561 (CHEMBL4640168) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(C)c1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-5-4-6-16(9-15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)8-7-17(29-2)10-21(26)27/h4-9,11,17,21-22H,10,12-14H2,1-3H3/t17-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020)
					More data for this Ligand-Target Pair