BDBM36501 2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic acid, 2::CID68686

SMILES: Cc1c(CC(O)=O)sc2ccc(Cl)cc12

InChI Key: InChIKey=QNJIHQOPIPJYLU-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 36501   

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))	BDBM36501 (2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic a...) Show SMILES Cc1c(CC(O)=O)sc2ccc(Cl)cc12 Show InChI InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	>5.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of FPPS (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM36501 (2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic a...) Show SMILES Cc1c(CC(O)=O)sc2ccc(Cl)cc12 Show InChI InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	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 (crystal)