BDBM50234800 CHEMBL4084140

SMILES: [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)OCc1ccccc1)[C@@H](C)N

InChI Key: InChIKey=BRMYJHHZBRQLRJ-HYKGQQBESA-N

Data: 4 KI

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 4 hits for monomerid = 50234800   

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
Cholinesterase (Equus caballus (Horse))	BDBM50234800 (CHEMBL4084140) Show SMILES [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)OCc1ccccc1)[C@@H](C)N |r| Show InChI InChI=1S/C36H55NO3/c1-23(37)25-14-19-36(31(39)40-22-24-10-8-7-9-11-24)21-20-34(5)26(30(25)36)12-13-28-33(4)17-16-29(38)32(2,3)27(33)15-18-35(28,34)6/h7-11,23,25-30,38H,12-22,37H2,1-6H3/t23-,25+,26-,27+,28-,29+,30-,33+,34-,35-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition meas...				Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50234800 (CHEMBL4084140) Show SMILES [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)OCc1ccccc1)[C@@H](C)N |r| Show InChI InChI=1S/C36H55NO3/c1-23(37)25-14-19-36(31(39)40-22-24-10-8-7-9-11-24)21-20-34(5)26(30(25)36)12-13-28-33(4)17-16-29(38)32(2,3)27(33)15-18-35(28,34)6/h7-11,23,25-30,38H,12-22,37H2,1-6H3/t23-,25+,26-,27+,28-,29+,30-,33+,34-,35-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Uncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition me...				Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234800 (CHEMBL4084140) Show SMILES [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)OCc1ccccc1)[C@@H](C)N |r| Show InChI InChI=1S/C36H55NO3/c1-23(37)25-14-19-36(31(39)40-22-24-10-8-7-9-11-24)21-20-34(5)26(30(25)36)12-13-28-33(4)17-16-29(38)32(2,3)27(33)15-18-35(28,34)6/h7-11,23,25-30,38H,12-22,37H2,1-6H3/t23-,25+,26-,27+,28-,29+,30-,33+,34-,35-,36+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measu...				Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50234800 (CHEMBL4084140) Show SMILES [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)OCc1ccccc1)[C@@H](C)N |r| Show InChI InChI=1S/C36H55NO3/c1-23(37)25-14-19-36(31(39)40-22-24-10-8-7-9-11-24)21-20-34(5)26(30(25)36)12-13-28-33(4)17-16-29(38)32(2,3)27(33)15-18-35(28,34)6/h7-11,23,25-30,38H,12-22,37H2,1-6H3/t23-,25+,26-,27+,28-,29+,30-,33+,34-,35-,36+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Uncompetitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition mea...				Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K
					More data for this Ligand-Target Pair