BDBM50024470 4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-methyl-amino]-benzoic acid::CHEMBL22449

SMILES: CN(CC1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=FGBKOEKVIMAPJS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50024470   

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 (TS) (Lactobacillus casei)	BDBM50024470 (4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin...) Show SMILES CN(CC1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H20N4O3/c1-21(12-5-3-11(4-6-12)16(23)24)9-10-2-7-14-13(8-10)15(22)20-17(18)19-14/h3-6,10H,2,7-9H2,1H3,(H,23,24)(H3,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of thymidylate synthase in L. casei				J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50024470 (4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin...) Show SMILES CN(CC1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H20N4O3/c1-21(12-5-3-11(4-6-12)16(23)24)9-10-2-7-14-13(8-10)15(22)20-17(18)19-14/h3-6,10H,2,7-9H2,1H3,(H,23,24)(H3,18,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of dihydrofolate reductase in L. casei				J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC
					More data for this Ligand-Target Pair