BDBM50223502 CHEMBL30603

SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(F)(=O)=O

InChI Key: InChIKey=FSBZMGYFJMWXNC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50223502   

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 (Lactobacillus casei)	BDBM50223502 (CHEMBL30603) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(F)(=O)=O |t:3,6| Show InChI InChI=1S/C11H14FN5O2S/c1-11(2)16-9(13)15-10(14)17(11)7-4-3-5-8(6-7)20(12,18)19/h3-6H,1-2H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 24: 1422-9 (1981) BindingDB Entry DOI: 10.7270/Q2VM4FF9
					More data for this Ligand-Target Pair