BDBM25463 2-(1,2,4-triazatriphenylen-3-ylsulfanyl)acetic acid::NSC327704

SMILES: OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1

InChI Key: InChIKey=XZGDBVGWDJBZRI-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 = 25463   

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)	BDBM25463 (2-(1,2,4-triazatriphenylen-3-ylsulfanyl)acetic aci...) Show SMILES OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1 Show InChI InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.69E+4	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