BDBM50044612 3-Amino-7,9-dimethyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one::CHEMBL73229

SMILES: Cc1cc(C)c2CCc3nc(N)[nH]c(=O)c3-c2c1

InChI Key: InChIKey=NFQSGQYZCZHRHW-UHFFFAOYSA-N

Data: 1 IC50

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 = 50044612   

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
Thymidylate synthase (Escherichia coli)	BDBM50044612 (3-Amino-7,9-dimethyl-5,6-dihydro-2H-benzo[f]quinaz...) Show SMILES Cc1cc(C)c2CCc3nc(N)[nH]c(=O)c3-c2c1 Show InChI InChI=1S/C14H15N3O/c1-7-5-8(2)9-3-4-11-12(10(9)6-7)13(18)17-14(15)16-11/h5-6H,3-4H2,1-2H3,(H3,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against thymidylate synthase (TS) in Escherichia coli				J Med Chem 36: 2279-91 (1993) BindingDB Entry DOI: 10.7270/Q2FX78HN
					More data for this Ligand-Target Pair