BDBM50348445 CHEMBL1801199

SMILES: CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1

InChI Key: InChIKey=XOVLZAFANMHGAE-UHFFFAOYSA-N

Data: 1 IC50

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 = 50348445   

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 (DHFR) (Bos taurus (Cattle))	BDBM50348445 (CHEMBL1801199) Show SMILES CC(C)(C)c1ccc(OCCCON2C(N)=NC(N)=NC22CCCCC2)cc1 |c:15,18| Show InChI InChI=1S/C21H33N5O2/c1-20(2,3)16-8-10-17(11-9-16)27-14-7-15-28-26-19(23)24-18(22)25-21(26)12-5-4-6-13-21/h8-11H,4-7,12-15H2,1-3H3,(H4,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry				Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M
					More data for this Ligand-Target Pair