BDBM36505 2-(3-Chlorobenzo[b]thiophen-2-yl)acetic acid, 6::CID46398839

SMILES: OC(=O)Cc1sc2ccccc2c1Cl

InChI Key: InChIKey=CFQJUHXXVBNHEC-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 36505   

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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM36505 (2-(3-Chlorobenzo[b]thiophen-2-yl)acetic acid, 6 | ...) Show SMILES OC(=O)Cc1sc2ccccc2c1Cl Show InChI InChI=1S/C10H7ClO2S/c11-10-6-3-1-2-4-7(6)14-8(10)5-9(12)13/h1-4H,5H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
					More data for this Ligand-Target Pair				3D Structure (docked)