BindingDB PrimarySearch

BDBM36527 1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione, 10::US9073941, 601

SMILES: Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

InChI Key: InChIKey=SFOMBJIIZPCRJH-UHFFFAOYSA-N

Data: 4 IC50 2 Kd 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 36527
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
Yale University					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Fidelta Ltd. Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using methylated H3 peptide as substrate by chemiluminescence assay				Bioorg Med Chem 28: (2020)
Fidelta Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	37
Yale University					Assay Description Cell assay using BT474, SKBR3 and MCF-12F cell lines measured by WST-1 colorimetric cell proliferation assay.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
Yale University					More data for this Ligand-Target Pair
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis)	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
Academia Sinica US Patent					More data for this Ligand-Target Pair
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis)	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
Academia Sinica US Patent					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
Yale University					More data for this Ligand-Target Pair