BDBM50071577 CHEMBL174153

SMILES: Nc1nc(N)c2cc(NCc3ccc(O)cc3)ccc2n1

InChI Key: InChIKey=LTQKXZTUYJOLPK-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50071577   

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
Pteridine reductase 1 (Leishmania major)	BDBM50071577 (CHEMBL174153) Show SMILES Nc1nc(N)c2cc(NCc3ccc(O)cc3)ccc2n1 Show InChI InChI=1S/C15H15N5O/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(21)5-2-9/h1-7,18,21H,8H2,(H4,16,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+3	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
Thymidylate synthase (TS) (Leishmania major)	BDBM50071577 (CHEMBL174153) Show SMILES Nc1nc(N)c2cc(NCc3ccc(O)cc3)ccc2n1 Show InChI InChI=1S/C15H15N5O/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(21)5-2-9/h1-7,18,21H,8H2,(H4,16,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.02E+3	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