BDBM50448350 CHEMBL3121448

SMILES: FC(F)(F)c1ccc2nc(c(CN(CC#C)c3ccccc3Cl)nc2c1)-c1ccccc1

InChI Key: InChIKey=MWTRDHZBOKVEIF-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 = 50448350   

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))	BDBM50448350 (CHEMBL3121448) Show SMILES FC(F)(F)c1ccc2nc(c(CN(CC#C)c3ccccc3Cl)nc2c1)-c1ccccc1 Show InChI InChI=1S/C25H17ClF3N3/c1-2-14-32(23-11-7-6-10-19(23)26)16-22-24(17-8-4-3-5-9-17)31-20-13-12-18(25(27,28)29)15-21(20)30-22/h1,3-13,15H,14,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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