BDBM50071578 CHEMBL546890

SMILES: COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1

InChI Key: InChIKey=RQSBJSIIKPEFOX-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 = 50071578   

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)	BDBM50071578 (CHEMBL546890) Show SMILES COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 Show InChI InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21)	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	2.85E+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)	BDBM50071578 (CHEMBL546890) Show SMILES COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 Show InChI InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.58E+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