BDBM50251155 2-[(4-Methoy-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline::CHEMBL518405

SMILES: COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1

InChI Key: InChIKey=AAFHHXQPWZUDFK-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 = 50251155   

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))	BDBM50251155 (2-[(4-Methoy-phenyl)amino]-3-phenyl-5,7-diaminoqui...) Show SMILES COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 Show InChI InChI=1S/C21H19N5O/c1-27-16-9-7-15(8-10-16)24-21-19(13-5-3-2-4-6-13)26-20-17(23)11-14(22)12-18(20)25-21/h2-12H,22-23H2,1H3,(H,24,25)	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	1.80E+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 human dihydrofolate reductase				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 (Homo sapiens (Human))	BDBM50251155 (2-[(4-Methoy-phenyl)amino]-3-phenyl-5,7-diaminoqui...) Show SMILES COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 Show InChI InChI=1S/C21H19N5O/c1-27-16-9-7-15(8-10-16)24-21-19(13-5-3-2-4-6-13)26-20-17(23)11-14(22)12-18(20)25-21/h2-12H,22-23H2,1H3,(H,24,25)	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	6.00E+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 human 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