BDBM50130206 CHEMBL3632856

SMILES: [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CCC(=O)C2(C)C)-c1ccc(OC)cc1

InChI Key: InChIKey=YKIBSZXLXSOWFC-HXABMTEBSA-N

Data: 3 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 3 hits for monomerid = 50130206   

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 (Homo sapiens (Human))	BDBM50130206 (CHEMBL3632856) Show SMILES [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CCC(=O)C2(C)C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H32O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,15,21-22H,10-14H2,1-5H3/t21-,22+,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Alchemical Research, LLC Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 25: 4848-53 (2015) BindingDB Entry DOI: 10.7270/Q2668G1T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50130206 (CHEMBL3632856) Show SMILES [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CCC(=O)C2(C)C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H32O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,15,21-22H,10-14H2,1-5H3/t21-,22+,26-,27+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Products Applications and Research Technologies Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins by Ellman's method				J Nat Prod 82: 2627-2637 (2019) Article DOI: 10.1021/acs.jnatprod.9b00563
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50130206 (CHEMBL3632856) Show SMILES [H][C@@]12CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@]3([H])[C@@]1(C)CCC(=O)C2(C)C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C27H32O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,15,21-22H,10-14H2,1-5H3/t21-,22+,26-,27+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Natural Products Applications and Research Technologies Curated by ChEMBL					Assay Description Inhibition of electric eel AChE incubated for 15 mins by Ellman's method				J Nat Prod 82: 2627-2637 (2019) Article DOI: 10.1021/acs.jnatprod.9b00563
					More data for this Ligand-Target Pair