BDBM22585 1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadiazine-2,2,4-trione::Heterocycle, 1

SMILES: O=C1NS(=O)(=O)Nc2nc[nH]c12

InChI Key: InChIKey=BSAXWMSAVVOOHO-UHFFFAOYSA-N

Data: 4 KI

PDB links: 2 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 4 hits for monomerid = 22585   

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
IMP Cyclohydrolase (IMPCH) (Homo sapiens (Human))	BDBM22585 (1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...) Show SMILES O=C1NS(=O)(=O)Nc2nc[nH]c12 Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	130	-9.29	n/a	n/a	n/a	n/a	n/a	7.4	22
The Scripps Research Institute					Assay Description The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance ...				J Biol Chem 282: 13033-46 (2007) Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB
					More data for this Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM22585 (1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...) Show SMILES O=C1NS(=O)(=O)Nc2nc[nH]c12 Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>1.00E+5	>-5.47	n/a	n/a	n/a	n/a	n/a	7.5	26
The Scripps Research Institute					Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...				J Biol Chem 282: 13033-46 (2007) Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB
					More data for this Ligand-Target Pair
AICAR Tfase (Homo sapiens (Human))	BDBM22585 (1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...) Show SMILES O=C1NS(=O)(=O)Nc2nc[nH]c12 Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>1.00E+5	>-5.40	n/a	n/a	n/a	n/a	n/a	7.5	22
The Scripps Research Institute					Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...				J Biol Chem 282: 13033-46 (2007) Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB
					More data for this Ligand-Target Pair
GAR Tfase (Escherichia coli (strain K12))	BDBM22585 (1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadia...) Show SMILES O=C1NS(=O)(=O)Nc2nc[nH]c12 Show InChI InChI=1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>1.00E+5	>-5.47	n/a	n/a	n/a	n/a	n/a	7.5	26
The Scripps Research Institute					Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...				J Biol Chem 282: 13033-46 (2007) Article DOI: 10.1074/jbc.M607293200 BindingDB Entry DOI: 10.7270/Q2GM85MB
					More data for this Ligand-Target Pair