BDBM50404663 CHEMBL6885::QUINAZOLINE-2,4,6-TRIAMINE

SMILES: Nc1ccc2nc(N)nc(N)c2c1

InChI Key: InChIKey=LJBWEZVYRBKOCI-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50404663   

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) (Leishmania major)	BDBM50404663 (CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE) Show SMILES Nc1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.40E+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
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50404663 (CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE) Show SMILES Nc1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of rat liver				J Med Chem 24: 812-8 (1981) BindingDB Entry DOI: 10.7270/Q2P84D3D
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50404663 (CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE) Show SMILES Nc1ccc2nc(N)nc(N)c2c1 Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	5.88E+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 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				3D Structure (crystal)