BDBM50092537 CHEMBL3586204

SMILES: [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO

InChI Key: InChIKey=DLEILUPSFMLCEI-OCSRNINYSA-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 = 50092537   

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))	BDBM50092537 (CHEMBL3586204) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r| Show InChI InChI=1S/C37H54O9/c1-32-15-12-24-33(2,17-14-29(36(24,5)31(43)44)46-30(42)21-6-8-22(39)9-7-21)23(32)10-11-25-34(3)16-13-27(40)35(4,20-38)26(34)18-28(41)37(25,45)19-32/h6-9,23-29,38-41,45H,10-20H2,1-5H3,(H,43,44)/t23-,24+,25+,26+,27+,28-,29-,32-,33+,34+,35+,36+,37+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50092537 (CHEMBL3586204) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r| Show InChI InChI=1S/C37H54O9/c1-32-15-12-24-33(2,17-14-29(36(24,5)31(43)44)46-30(42)21-6-8-22(39)9-7-21)23(32)10-11-25-34(3)16-13-27(40)35(4,20-38)26(34)18-28(41)37(25,45)19-32/h6-9,23-29,38-41,45H,10-20H2,1-5H3,(H,43,44)/t23-,24+,25+,26+,27+,28-,29-,32-,33+,34+,35+,36+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50092537 (CHEMBL3586204) Show SMILES [H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r| Show InChI InChI=1S/C37H54O9/c1-32-15-12-24-33(2,17-14-29(36(24,5)31(43)44)46-30(42)21-6-8-22(39)9-7-21)23(32)10-11-25-34(3)16-13-27(40)35(4,20-38)26(34)18-28(41)37(25,45)19-32/h6-9,23-29,38-41,45H,10-20H2,1-5H3,(H,43,44)/t23-,24+,25+,26+,27+,28-,29-,32-,33+,34+,35+,36+,37+/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using butyrylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method				Bioorg Med Chem 23: 3126-34 (2015) Article DOI: 10.1016/j.bmc.2015.04.080 BindingDB Entry DOI: 10.7270/Q24X59JZ
					More data for this Ligand-Target Pair