BDBM50172468 1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclopropanecarboxylic acid::CHEMBL196946

SMILES: OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1

InChI Key: InChIKey=OHASMRIPZSZDPE-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 = 50172468   

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
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50172468 (1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclop...) Show SMILES OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1 Show InChI InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172468 (1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclop...) Show SMILES OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1 Show InChI InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair