BDBM84608 2,4-diamino-6-nitro-quinazoline, 1a

SMILES: Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O

InChI Key: InChIKey=YZMJNZRTRWPJFY-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 84608   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM84608 (2,4-diamino-6-nitro-quinazoline, 1a) Show SMILES Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	5.5	37
Research Institute, Hospital for Sick Children					Assay Description Beta-glucocerebrosidase (GCase) activity was measured by release of 4-methylumbelliferyl fluorophore from MUClc.				Chembiochem 9: 2650-62 (2008) Article DOI: 10.1002/cbic.200800304 BindingDB Entry DOI: 10.7270/Q2JQ0ZJK
					More data for this Ligand-Target Pair
Thymidylate synthase (TS) (Leishmania major)	BDBM84608 (2,4-diamino-6-nitro-quinazoline, 1a) Show SMILES Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Binding affinity to Leishmania major DHFR				Eur J Med Chem 92: 314-31 (2015) Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM84608 (2,4-diamino-6-nitro-quinazoline, 1a) Show SMILES Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Binding affinity to Leishmania major pteridine reductase 1				Eur J Med Chem 92: 314-31 (2015) Article DOI: 10.1016/j.ejmech.2014.12.051 BindingDB Entry DOI: 10.7270/Q2542Q91
					More data for this Ligand-Target Pair