BDBM50272614 2-(2''-Fluorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine::CHEMBL526476

SMILES: Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1F

InChI Key: InChIKey=PXROHQYSCPVWBO-UHFFFAOYSA-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 = 50272614   

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))	BDBM50272614 (2-(2''-Fluorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1F |t:8| Show InChI InChI=1S/C21H16FNOS/c22-17-9-2-1-8-16(17)21-13-19(14-6-5-7-15(24)12-14)23-18-10-3-4-11-20(18)25-21/h1-12,21,24H,13H2	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	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem 16: 7691-7 (2008) Article DOI: 10.1016/j.bmc.2008.07.009 BindingDB Entry DOI: 10.7270/Q2PZ58N6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50272614 (2-(2''-Fluorophenyl)-4-(3'-hydroxyphenyl)-2,3-dihy...) Show SMILES Oc1cccc(c1)C1=Nc2ccccc2SC(C1)c1ccccc1F |t:8| Show InChI InChI=1S/C21H16FNOS/c22-17-9-2-1-8-16(17)21-13-19(14-6-5-7-15(24)12-14)23-18-10-3-4-11-20(18)25-21/h1-12,21,24H,13H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide as substrate preincubated for 15 min				Citation and Details Article DOI: 10.1007/s00044-011-9754-6 BindingDB Entry DOI: 10.7270/Q21G0NSX
					More data for this Ligand-Target Pair