BDBM50308520 CHEMBL603622::cyclophostin

SMILES: CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1

InChI Key: InChIKey=OMPQJMDGDAAXPE-NPMWZIQKSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50308520   

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))	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/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	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Irreversible inhibition of AChE (unknown origin)				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of AChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2265-74 (2010) Article DOI: 10.1016/j.bmc.2010.01.063 BindingDB Entry DOI: 10.7270/Q2RV0NTP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/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	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/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	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of human AChE at pH 8				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Musca domestica)	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition of housefly CSMA AChE				Bioorg Med Chem 23: 7529-34 (2015) Article DOI: 10.1016/j.bmc.2015.10.044 BindingDB Entry DOI: 10.7270/Q2N58QCW
					More data for this Ligand-Target Pair
Hormone-sensitive lipase (HSL) (Rattus norvegicus (Rat))	BDBM50308520 (CHEMBL603622 | cyclophostin) Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12| Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri St. Louis Curated by ChEMBL					Assay Description Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [3H]triolein by scintillation counting				Bioorg Med Chem 23: 944-52 (2015) Article DOI: 10.1016/j.bmc.2015.01.028 BindingDB Entry DOI: 10.7270/Q23X88BP
					More data for this Ligand-Target Pair