null

SMILES: Cc1cccc2COP(=O)(OC[C@@H]3CC(C=C3)n3cnc4c(NC5CC5)nc(N)nc34)Oc12

InChI Key: InChIKey=IRYJGKPAUCFPPO-HEGIJIRFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146868   

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))	BDBM50146868 ((R)-N*6*-Cyclopropyl-9-[(R)-4-(8-methyl-2-oxo-4H-2...) Show SMILES Cc1cccc2COP(=O)(OC[C@@H]3CC(C=C3)n3cnc4c(NC5CC5)nc(N)nc34)Oc12 |c:15| Show InChI InChI=1S/C22H25N6O4P/c1-13-3-2-4-15-11-31-33(29,32-19(13)15)30-10-14-5-8-17(9-14)28-12-24-18-20(25-16-6-7-16)26-22(23)27-21(18)28/h2-5,8,12,14,16-17H,6-7,9-11H2,1H3,(H3,23,25,26,27)/t14-,17?,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	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 (Electrophorus electricus (Electric eel))	BDBM50146868 ((R)-N*6*-Cyclopropyl-9-[(R)-4-(8-methyl-2-oxo-4H-2...) Show SMILES Cc1cccc2COP(=O)(OC[C@@H]3CC(C=C3)n3cnc4c(NC5CC5)nc(N)nc34)Oc12 |c:15| Show InChI InChI=1S/C22H25N6O4P/c1-13-3-2-4-15-11-31-33(29,32-19(13)15)30-10-14-5-8-17(9-14)28-12-24-18-20(25-16-6-7-16)26-22(23)27-21(18)28/h2-5,8,12,14,16-17H,6-7,9-11H2,1H3,(H3,23,25,26,27)/t14-,17?,33?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	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