BDBM50429847 CHEMBL2338670

SMILES: Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12

InChI Key: InChIKey=GLKNPNIPVUDEPP-UHFFFAOYSA-O

Data: 1 KI  1 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 = 50429847   

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))	BDBM50429847 (CHEMBL2338670) Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12 Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 1064-73 (2013) Article DOI: 10.1016/j.bmc.2013.01.015 BindingDB Entry DOI: 10.7270/Q2GB25C5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50429847 (CHEMBL2338670) Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12 Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate addition by Ellm...				Bioorg Med Chem 21: 1064-73 (2013) Article DOI: 10.1016/j.bmc.2013.01.015 BindingDB Entry DOI: 10.7270/Q2GB25C5
					More data for this Ligand-Target Pair