BDBM50234803 CHEMBL4099629

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

InChI Key: InChIKey=MFXQEPNZKMYOJG-VIFUSZNRSA-N

Data: 3 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 3 hits for monomerid = 50234803   

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))	BDBM50234803 (CHEMBL4099629) Show SMILES [H][C@]1(CC[C@]2(COC(C)=O)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)N |r| Show InChI InChI=1S/C33H55NO4/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28H,9-19,34H2,1-8H3/t20-,23+,24-,25+,26-,27+,28-,30+,31-,32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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))	BDBM50234803 (CHEMBL4099629) Show SMILES [H][C@]1(CC[C@]2(COC(C)=O)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)N |r| Show InChI InChI=1S/C33H55NO4/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28H,9-19,34H2,1-8H3/t20-,23+,24-,25+,26-,27+,28-,30+,31-,32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	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))	BDBM50234803 (CHEMBL4099629) Show SMILES [H][C@]1(CC[C@]2(COC(C)=O)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)N |r| Show InChI InChI=1S/C33H55NO4/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28H,9-19,34H2,1-8H3/t20-,23+,24-,25+,26-,27+,28-,30+,31-,32-,33-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	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