BDBM50251164 2-[(4-Fluoro-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline::CHEMBL465891

SMILES: Nc1cc(N)c2nc(c(Nc3ccc(F)cc3)nc2c1)-c1ccccc1

InChI Key: InChIKey=NIUYHJHZOHMWPP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50251164   

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
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50251164 (2-[(4-Fluoro-phenyl)amino]-3-phenyl-5,7-diamino-qu...) Show SMILES Nc1cc(N)c2nc(c(Nc3ccc(F)cc3)nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16FN5/c21-13-6-8-15(9-7-13)24-20-18(12-4-2-1-3-5-12)26-19-16(23)10-14(22)11-17(19)25-20/h1-11H,22-23H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50251164 (2-[(4-Fluoro-phenyl)amino]-3-phenyl-5,7-diamino-qu...) Show SMILES Nc1cc(N)c2nc(c(Nc3ccc(F)cc3)nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16FN5/c21-13-6-8-15(9-7-13)24-20-18(12-4-2-1-3-5-12)26-19-16(23)10-14(22)11-17(19)25-20/h1-11H,22-23H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
					More data for this Ligand-Target Pair