BDBM50448353 CHEMBL3121444

SMILES: CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=KWDUUNVRKYRYFH-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 = 50448353   

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 (Homo sapiens (Human))	BDBM50448353 (CHEMBL3121444) Show SMILES CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C27H26F3N3O3/c1-5-33(19-14-23(34-2)26(36-4)24(15-19)35-3)16-22-25(17-9-7-6-8-10-17)32-20-12-11-18(27(28,29)30)13-21(20)31-22/h6-15H,5,16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Competitive inhibition of human dihydrofolate reductase by spectrophotometry				Eur J Med Chem 75: 169-83 (2014) Article DOI: 10.1016/j.ejmech.2014.01.048 BindingDB Entry DOI: 10.7270/Q2PR7XGH
					More data for this Ligand-Target Pair