BDBM25460 2-[(4-oxo-4H-triphenylene-11-)sulfinyl]acetic acid::NSC16211

SMILES: OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23

InChI Key: InChIKey=WUJCZHVABXHBKL-UHFFFAOYSA-N

Data: 1 Kd

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 = 25460   

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
Adenosine Phosphosulfate Reductase (APSR) (Mycobacterium tuberculosis)	BDBM25460 (2-[(4-oxo-4H-triphenylene-11-)sulfinyl]acetic acid...) Show SMILES OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23 Show InChI InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	7.5	30
The Scripps Research Institute					Assay Description Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...				J Med Chem 51: 6627-30 (2008) Article DOI: 10.1021/jm800571m BindingDB Entry DOI: 10.7270/Q2PK0DFG
					More data for this Ligand-Target Pair