BDBM50146862 1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL97501

SMILES: Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12

InChI Key: InChIKey=NENSOAFAVKYDHT-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 50146862   

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 (Electrophorus electricus (Electric eel))	BDBM50146862 (1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards Electrophorus electricus acetylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair
Butyrylcholinesterase (Mus musculus (Mouse))	BDBM50146862 (1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards mouse butyrylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50146862 (1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)	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	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards human butyrylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50146862 (1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards beef erythrocytes acetylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50146862 (1-[4-Azido-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cccc2COP(=O)(OCC3OC(CC3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)Oc12 Show InChI InChI=1S/C18H20N5O7P/c1-10-4-3-5-12-8-27-31(26,30-16(10)12)28-9-14-13(21-22-19)6-15(29-14)23-7-11(2)17(24)20-18(23)25/h3-5,7,13-15H,6,8-9H2,1-2H3,(H,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards calf serum acetylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair