BDBM50389610 CHEMBL2069774::CHEMBL2069796

SMILES: Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=VMYPYHXKELQTME-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 50389610   

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 (Rattus norvegicus (rat))	BDBM50389610 (CHEMBL2069774 | CHEMBL2069796) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H19N3O7/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28(33)34)20-22(35-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.3	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50389610 (CHEMBL2069774 | CHEMBL2069796) Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H19N3O7/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28(33)34)20-22(35-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.2	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 20: 521-30 (2011) Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F
					More data for this Ligand-Target Pair