BDBM50050561 CHEMBL3309351

SMILES: [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C

InChI Key: InChIKey=FOJCSWWFCQQLBD-WJLKJTLYSA-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 = 50050561   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50050561 (CHEMBL3309351) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C30H53NO4/c1-24(22-28(33)35-19-8-6-5-7-16-31-17-20-34-21-18-31)10-12-26-25(23-32)11-13-27-29(2,3)14-9-15-30(26,27)4/h11,24,26-27,32H,5-10,12-23H2,1-4H3/t24-,26-,27-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 3838-49 (2014) Article DOI: 10.1016/j.bmc.2014.06.030 BindingDB Entry DOI: 10.7270/Q2VT1TQC
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50050561 (CHEMBL3309351) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCCCN3CCOCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C30H53NO4/c1-24(22-28(33)35-19-8-6-5-7-16-31-17-20-34-21-18-31)10-12-26-25(23-32)11-13-27-29(2,3)14-9-15-30(26,27)4/h11,24,26-27,32H,5-10,12-23H2,1-4H3/t24-,26-,27-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 3838-49 (2014) Article DOI: 10.1016/j.bmc.2014.06.030 BindingDB Entry DOI: 10.7270/Q2VT1TQC
					More data for this Ligand-Target Pair