BDBM50242322 CHEMBL4066113

SMILES: [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2

InChI Key: InChIKey=YAGFBEMQDGQRCE-PHBBHMBZSA-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 = 50242322   

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 (Electrophorus electricus (Electric eel))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair