BDBM50294215 3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(2,4-dimethoxypyrimidin-5-yl)phthalazin-2(1H)-yl)prop-2-en-1-one::CHEMBL539445

SMILES: COc1ncc(C2N(N=Cc3ccccc23)C(=O)\C=C\c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)c(OC)n1

InChI Key: InChIKey=OVPKOULLSONDRW-MDZDMXLPSA-N

Data: 1 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 1 hit for monomerid = 50294215   

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))	BDBM50294215 (3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimet...) Show SMILES COc1ncc(C2N(N=Cc3ccccc23)C(=O)\C=C\c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)c(OC)n1 |c:8| Show InChI InChI=1S/C30H30N8O5/c1-40-23-13-17(12-20-14-33-29(32)36-27(20)31)11-18(26(23)41-2)9-10-24(39)38-25(21-8-6-5-7-19(21)15-35-38)22-16-34-30(43-4)37-28(22)42-3/h5-11,13-16,25H,12H2,1-4H3,(H4,31,32,33,36)/b10-9+	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	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair