BDBM50250634 CHEMBL466169::[(20S)-20-(dimethylamino)-3-beta-(2'-methyl-2'-butenoylamino)bux-9(11)-en-10-alpha-ol]

SMILES: C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C

InChI Key: InChIKey=NYZKFMALHZMJAX-LYKGIQKJSA-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 = 50250634   

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 (Homo sapiens (Human))	BDBM50250634 (CHEMBL466169 | [(20S)-20-(dimethylamino)-3-beta-(2...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13| Show InChI InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin)				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50250634 (CHEMBL466169 | [(20S)-20-(dimethylamino)-3-beta-(2...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13| Show InChI InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman method				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair