BDBM50405986 CHEMBL56668

SMILES: Nc1ncc(Cc2ccc(O)cc2)c(N)n1

InChI Key: InChIKey=CEFCYXFPPQNRCK-UHFFFAOYSA-N

Data: 3 KI

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 = 50405986   

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
Dihydrofolate reductase (Salmonella enterica subsp. enterica serovar Typhi)	BDBM50405986 (CHEMBL56668) Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1 Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				J Med Chem 34: 46-54 (1991) BindingDB Entry DOI: 10.7270/Q2X92CH4
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405986 (CHEMBL56668) Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1 Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50405986 (CHEMBL56668) Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1 Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibitory activity against chicken liver dihydrofolate reductase				J Med Chem 32: 1895-905 (1989) BindingDB Entry DOI: 10.7270/Q2QR4ZB9
					More data for this Ligand-Target Pair