BDBM50448357 CHEMBL3121470

SMILES: CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(OC)cc1

InChI Key: InChIKey=UXBPYAOGIJAAMM-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 = 50448357   

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))	BDBM50448357 (CHEMBL3121470) Show SMILES CCN(Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)c1ccc(OC)cc1 Show InChI InChI=1S/C25H22F3N3O/c1-3-31(19-10-12-20(32-2)13-11-19)16-23-24(17-7-5-4-6-8-17)30-21-14-9-18(25(26,27)28)15-22(21)29-23/h4-15H,3,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+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