BDBM50050570 CHEMBL3311547

SMILES: [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCCC3)[C@@]1(C)CCCC2(C)C

InChI Key: InChIKey=XOSYYCYRQMXWDG-HZMCFHPPSA-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 = 50050570   

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...)	BDBM50050570 (CHEMBL3311547) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50050570 (CHEMBL3311547) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C27H47NO3/c1-21(19-25(30)31-18-17-28-15-6-5-7-16-28)9-11-23-22(20-29)10-12-24-26(2,3)13-8-14-27(23,24)4/h10,21,23-24,29H,5-9,11-20H2,1-4H3/t21-,23-,24-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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