BDBM50531790 CHEMBL4439025

SMILES: Nc1ncc(N2CCN(CC2)c2cccc(OC(F)(F)F)c2)c(N)n1

InChI Key: InChIKey=KDNLRAFOUIWRQS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50531790   

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; T. gondii vs rat (Toxoplasma gondii)	BDBM50531790 (CHEMBL4439025) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(OC(F)(F)F)c2)c(N)n1 Show InChI InChI=1S/C15H17F3N6O/c16-15(17,18)25-11-3-1-2-10(8-11)23-4-6-24(7-5-23)12-9-21-14(20)22-13(12)19/h1-3,8-9H,4-7H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50531790 (CHEMBL4439025) Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(OC(F)(F)F)c2)c(N)n1 Show InChI InChI=1S/C15H17F3N6O/c16-15(17,18)25-11-3-1-2-10(8-11)23-4-6-24(7-5-23)12-9-21-14(20)22-13(12)19/h1-3,8-9H,4-7H2,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	819	n/a	n/a	n/a	n/a	n/a	n/a
Vyera Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...				J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754
					More data for this Ligand-Target Pair