BDBM50448347 CHEMBL3121452

SMILES: FC(F)(F)Oc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=TUTFVRKGYHJIRO-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 = 50448347   

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))	BDBM50448347 (CHEMBL3121452) Show SMILES FC(F)(F)Oc1ccc(cc1)N(CC#C)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C26H17F6N3O/c1-2-14-35(19-9-11-20(12-10-19)36-26(30,31)32)16-23-24(17-6-4-3-5-7-17)34-21-13-8-18(25(27,28)29)15-22(21)33-23/h1,3-13,15H,14,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+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