BindingDB PrimarySearch_ki

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Enter Data

BDBM18068 2-amino-6-(methylamino)-5-nitropyrimidin-4-ol::CHEMBL56190::MANIC, 3

SMILES: CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O

InChI Key: InChIKey=NMCMUSAXKISTKW-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18068
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
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM18068 (2-amino-6-(methylamino)-5-nitropyrimidin-4-ol \| CH...) Show SMILES CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of dihydropteroate synthase from Escherichia coli.				J Med Chem 28: 1870-4 (1986) BindingDB Entry DOI: 10.7270/Q2542PRF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Bacillus anthracis)	BDBM18068 (2-amino-6-(methylamino)-5-nitropyrimidin-4-ol \| CH...) Show SMILES CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	7.1	22
University of Tennessee at Knoxville					Assay Description Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...				J Med Chem 50: 4374-81 (2007) Article DOI: 10.1021/jm070319v BindingDB Entry DOI: 10.7270/Q2PG1Q0Q
University of Tennessee at Knoxville					More data for this Ligand-Target Pair